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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.54 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.47 |
| ▸ | ALK known ✓ | Q9UM73 | 1/20 | 0.46 |
| ▸ | ACVR1 known ✓ | Q04771 | 1/20 | 0.45 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.45 |
| ▸ | LGMN | Q99538 | 4/20 | 0.59 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 SCHEMBL3402782 | 1.00 | LGMN (0.59) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL223337 | 0.98 | LGMN (0.61) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL2731784 | 0.93 | CHEK1 (0.55) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL14180536 | 0.87 | CHEK1 (0.51) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL15358736 | 0.87 | ALDH1A1 (0.53) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL1232770 | 0.86 | LGMN (0.57) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL521335 | 0.85 | CHEK1 (0.49) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL310378 | 0.85 | CHEK1 (0.47) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL14180540 | 0.84 | HSD17B10 (0.50) | LGMNCHEK1JAK2MEN1KMT2A | |
| SCHEMBL13362137 | 0.84 | AKR1C3 (0.66) | CHEK1ALDH1A1MAPTCYP2C19GAA |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2275413-B1 | 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders | NOVARTIS AG (CH) | 2013-03-06 | — | — | EP | disclosed |
| US-8263590-B2 | Pyrimidine derivatives | NOVARTIS AG (CH) | 2012-09-11 | — | — | US | disclosed |
| EP-1660458-B1 | 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NOVARTIS AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| US-20110201606-A1 | PYRIMIDINE DERIVATIVES | NOVARTIS AG (CH) | 2011-08-18 | — | — | US | disclosed |
| US-7964592-B2 | 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders | NOVARTIS AG (CH) | 2011-06-21 | — | — | US | disclosed |
| US-20110098280-A1 | 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NOVARTIS AG (CH) | 2011-04-28 | — | — | US | disclosed |
| EP-2287156-A1 | 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders | Novartis AG (CH) | 2011-02-23 | — | — | EP | disclosed |
| US-7893074-B2 | inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide | NOVARTIS AG (CH) | 2011-02-22 | — | — | US | disclosed |
| EP-1606265-B1 | 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NOVARTIS AG (CH) | 2011-02-02 | — | — | EP | disclosed |
| EP-2275413-A1 | 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. | Novartis AG (CH) | 2011-01-19 | — | — | EP | disclosed |
| US-20090131436-A1 | Pyrimidine Derivatives | NOVARTIS AG (CH) | 2009-05-21 | — | — | US | disclosed |
| US-20080132504-A1 | 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2008-06-05 | — | — | US | disclosed |
| EP-1784392-A2 | PYRIMIDINE DERIVATIVES | Novartis AG (CH) | 2007-05-16 | — | — | EP | disclosed |
| US-20060247241-A1 | 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders | NOVARTIS AG (CH) | 2006-11-02 | — | — | US | disclosed |
| EP-1660458-A1 | 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | Novartis AG (CH) | 2006-05-31 | — | — | EP | disclosed |
| WO-2006021454-A2 | PYRIMIDINE DERIVATIVES | NOVARTIS AG (CH) | 2006-03-02 | — | — | WO | disclosed |
| EP-1606265-A1 | 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | Novartis AG (CH) | 2005-12-21 | — | — | EP | disclosed |
| WO-2005016894-A1 | 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NOVARTIS AG (CH) | 2005-02-24 | — | — | WO | disclosed |
| WO-2004080980-A1 | 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NOVARTIS AG (CH) | 2004-09-23 | — | — | 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 (5 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-20110098280-A1 | 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | TYMS, TYMP, DPYD | JAK2 589/4885KIT 891/4885ALK 3384/4885 |
| US-20080132504-A1 | 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders | TYMS, TYMP, DPYD | JAK2 482/4885KIT 557/4885ALK 3200/4885 |
| US-20110201606-A1 | PYRIMIDINE DERIVATIVES | DPYD, TYMP, TYMS | JAK2 1160/4885KIT 189/4885ALK 1887/4885 |
| US-20090131436-A1 | Pyrimidine Derivatives | DPYD, TYMP, TYMS | JAK2 1176/4885KIT 363/4885ALK 2060/4885 |
| US-20060247241-A1 | 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders | TYMS, UMPS, TYMP | JAK2 437/4885KIT 787/4885ALK 2563/4885 |
“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.