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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B known ✓ | Q07343 | 4/20 | 0.51 |
| ▸ | PDE4A known ✓ | P27815 | 3/20 | 0.42 |
| ▸ | PDE4C known ✓ | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL201799 | 0.99 | PDE4B (0.52) | PDE4BARMAP3K5PDE4APDE4C | |
| SCHEMBL4940189 | 0.87 | PDE4A (0.55) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL4119970 | 0.84 | SLC6A2 (0.48) | PDE4BARSLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL70445 | 0.84 | SLC6A2 (0.42) | ARMAP3K5TBK1SLC6A2SLC6A4 | |
| SCHEMBL4227931 | 0.82 | SLC6A2 (0.43) | MAP3K5TBK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2693669 | 0.82 | HRH3 (0.61) | PDE4BARCYP11B2 | |
| Hydrochloric Acid SCHEMBL16818301 | 0.81 | SLC6A2 (0.48) | MAP3K5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL225826 | 0.79 | SLC6A2 (0.49) | MAP3K5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12409078 | 0.79 | PDE4B (0.56) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL1560104 | 0.79 | PDE4B (0.45) | PDE4BARPDE4APDE4CPDE4D |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2303276-B1 | FUMARATE SALT OF 4-(3-CHLORO-2-FLUOROANILINO)-7-METHOXY-6-{[1-(N-METHYLCARBAMOYLMETHYL)PIPERIDIN-4-YL]OXY}QUINAZOLINE | ASTRAZENECA AB (SE) | 2013-11-13 | — | — | EP | disclosed |
| US-8404839-B2 | Crystalline 4-(3-chloro-2-fluoroanilino)-7 methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy} quinazoline difumarate Form A | ASTRAZENECA AB (GB) | 2013-03-26 | — | — | US | disclosed |
| US-20120035363-A1 | CRYSTALLINE 4-(3-CHLORO-2-FLUOROANILINO)-7 METHOXY-6-... | ASTRAZENECA AB (SE) | 2012-02-09 | — | — | US | disclosed |
| US-8088782-B2 | Crystalline 4-(3-chloro-2-fluoroanilino)-7 methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy}quinazoline difumarate form A | ASTRAZENECA AB (SE) | 2012-01-03 | — | — | US | disclosed |
| EP-2303276-A1 | FUMARATE SALT OF 4- (3-CHLORO-2-FLUOROANILINO) -7-METHOXY-6- { [1- (N-METHYLCARBAMOYLMETHYL) PIPERIDIN- 4-YL]OXY}QUINAZOLINE | AstraZeneca AB (SE) | 2011-04-06 | — | — | EP | disclosed |
| WO-2010061208-A2 | THERAPEUTIC TREATMENT 555 | ASTRAZENECA AB (SE) | 2010-06-03 | — | — | WO | disclosed |
| WO-2009138781-A1 | FUMARATE SALT OF 4- (3-CHLORO-2-FLUOROANILINO) -7-METHOXY-6- { [1- (N-METHYLCARBAMOYLMETHYL) PIPERIDIN- 4-YL] OXY}QUINAZOLINE | ASTRAZENECA AB (SE) | 2009-11-19 | — | — | WO | disclosed |
| US-20090286982-A1 | NOVEL SALT-554 | ASTRAZENECA AB (SE) | 2009-11-19 | — | — | US | disclosed |
| WO-2009138779-A1 | COMBINATION COMPRISING 4- (3-CHLORO-2-FLUOROANILINO) -7-METH0XY-6- { [1- (N-METHYLCARBAMOYLMETHYL) PIPERIDIN- 4-YL] OXYJQUINAZOLINE | ASTRAZENECA AB (SE) | 2009-11-19 | — | — | 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 (2 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-20090286982-A1 | NOVEL SALT-554 | KRAS, NISCH, WASHC4 | PDE4B 1624/4885PDE4A 1502/4885PDE4C 1542/4885 |
| US-20120035363-A1 | CRYSTALLINE 4-(3-CHLORO-2-FLUOROANILINO)-7 METHOXY-6-... | CDK7, CCNC, CDC73 | PDE4B 2719/4885PDE4A 2589/4885PDE4C 2189/4885 |
“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.