Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 13/20 | 0.58 |
| ▸ | ERBB2 known ✓ | P04626 | 11/20 | 0.58 |
| ▸ | ERBB4 known ✓ | Q15303 | 3/20 | 0.58 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.51 |
| ▸ | LCK known ✓ | P06239 | 2/20 | 0.50 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.51 |
| ▸ | ROS1 | P08922 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.51 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.51 |
| ▸ | EPHB2 | P29323 | 1/20 | 0.51 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3319186 | 0.88 | ERBB2 (0.53) | EGFRERBB2ERBB4CHEK2ROS1 | |
| SCHEMBL3322342 | 0.85 | EGFR (0.59) | EGFRERBB2ERBB4CHEK2ROS1 | |
| Hydrochloric Acid SCHEMBL3321026 | 0.85 | EGFR (0.53) | EGFRERBB2ERBB4AURKBRIPK2 | |
| SCHEMBL8133814 | 0.84 | EGFR (0.53) | EGFRERBB2ERBB4AURKBRIPK2 | |
| Hydrochloric Acid SCHEMBL3319025 | 0.84 | ERBB2 (0.67) | EGFRERBB2ERBB4CHEK2ROS1 | |
| SCHEMBL3318464 | 0.84 | EGFR (0.58) | EGFRERBB2ERBB4CHEK2ROS1 | |
| SCHEMBL2999764 | 0.83 | ERBB2 (0.68) | EGFRERBB2ERBB4CHEK2ROS1 | |
| SCHEMBL3320898 | 0.82 | ERBB2 (0.73) | EGFRERBB2ERBB4CHEK2ROS1 | |
| Hydrochloric Acid SCHEMBL8809813 | 0.82 | EGFR (0.76) | EGFRERBB2ERBB4CHEK2ROS1 | |
| SCHEMBL2102039 | 0.82 | ERBB2 (0.77) | EGFRERBB2ERBB4AURKBRIPK2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160339027-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2016-11-24 | — | — | US | disclosed |
| US-20160051551-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2016-02-25 | — | — | US | disclosed |
| US-9199973-B2 | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | NOVARTIS AG (CH) | 2015-12-01 | — | — | US | disclosed |
| US-20150065527-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2015-03-05 | — | — | US | disclosed |
| US-8912205-B2 | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | GLAXOSMITHKLINE LLC (US) | 2014-12-16 | — | — | US | disclosed |
| US-20130310562-A1 | Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors | GLAXOSMITHKLINE LLC (US) | 2013-11-21 | — | — | US | disclosed |
| US-8513262-B2 | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | GLAXOSMITHKLINE LLC (US) | 2013-08-20 | — | — | US | disclosed |
| US-20100120804-A1 | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | NOVARTIS AG (CH) | 2010-05-13 | — | — | US | disclosed |
| US-7507741-B2 | quinazoline derivatives; protein tyrosine kinase inhibitors, to treat various malignancies, Metabolic and proliferative disorders; 2-{{[5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furyl]methyl}[2-(methylsulfonyl)ethyl]amino}acetonitrile; side effects reduction; anticarcinogenic agent | SMITHKLINE BEECHAM CORPORATION (US) | 2009-03-24 | — | — | US | disclosed |
| US-20080004294-A1 | quinazoline derivatives; protein tyrosine kinase inhibitors, to treat various malignancies, Metabolic and proliferative disorders; 2-{{[5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furyl]methyl}[2-(methylsulfonyl)ethyl]amino}acetonitrile; side effects reduction; anticarcinogenic agent | COCKERILL GEORGE S | 2008-01-03 | — | — | US | disclosed |
| US-20050130996-A1 | Heterocyclic compounds | NOVARTIS AG (CH) | 2005-06-16 | — | — | US | disclosed |
| EP-1454907-A1 | Quninazoline and pyridopyrmidine derivatives | Glaxo Group Limited (GB) | 2004-09-08 | — | — | EP | disclosed |
| US-6727256-B1 | 4-AMINOQUINAZOLINE DERIVATIVES AS ANTICARCINOGENIC AGENTS | SMITHKLINE BEECHAM CORPORATION | 2004-04-27 | — | — | US | disclosed |
| US-6713485-B2 | ANTIPROLIFERATIVE AGENTS; SIDE EFFECT REDUCTION | SMITHKLINE BEECHAM CORPORATION | 2004-03-30 | — | — | US | disclosed |
| US-20030176451-A1 | Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound | LEO OSPREY LIMITED (GB) | 2003-09-18 | — | — | US | disclosed |
| US-20020147205-A1 | Heterocyclic compounds | NOVARTIS AG (CH) | 2002-10-10 | — | — | US | disclosed |
| EP-1192151-A1 | ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2002-04-03 | — | — | EP | disclosed |
| WO-2001004111-A1 | ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2001-01-18 | — | — | WO | disclosed |
| EP-1047694-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999035146-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 1999-07-15 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030176451-A1 | Reacting a heterocyclic-methanesulfonyl substituted-quinazolineamine compound with amine compound | CCNH, HRH2, HRH1 | EGFR 3409/4885ERBB2 2282/4885ERBB4 3155/4885 |
| US-20080004294-A1 | quinazoline derivatives; protein tyrosine kinase inhibitors, to treat various malignancies, Metabolic and proliferative disorders; 2-{{[5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furyl]methyl}[2-(methylsulfonyl)ethyl]amino}acetonitrile; side effects reduction; anticarcinogenic agent | ABL1, CDK2, ERBB2 | EGFR 208/4885ERBB2 3/4885ERBB4 66/4885 |
| US-20020147205-A1 | Heterocyclic compounds | ERBB2, ERBB3, ERBB4 | EGFR 4/4885ERBB2 1/4885ERBB4 3/4885 |
| US-20050130996-A1 | Heterocyclic compounds | CCNH, SDHA, CYP1A2 | EGFR 3748/4885ERBB2 3150/4885ERBB4 4053/4885 |
| US-20160339027-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ABL1, ERBB2, SRC | EGFR 7/4885ERBB2 2/4885ERBB4 17/4885 |
| US-20100120804-A1 | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | ABL1, ERBB2, CDK2 | EGFR 69/4885ERBB2 2/4885ERBB4 39/4885 |
| US-20130310562-A1 | Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors | ABL1, ERBB2, SRC | EGFR 7/4885ERBB2 2/4885ERBB4 17/4885 |
| US-20160051551-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ABL1, ERBB2, SRC | EGFR 7/4885ERBB2 2/4885ERBB4 17/4885 |
| US-20150065527-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ABL1, ERBB2, SRC | EGFR 7/4885ERBB2 2/4885ERBB4 17/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.