Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4396677

Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
PDGFRA known ✓ P16234 14/20 0.98
ABL1 known ✓ P00519 12/20 0.98
KIT known ✓ P10721 9/20 0.98
BCR known ✓ P11274 9/20 0.81
PDGFRB known ✓ P09619 5/20 0.81
EGFR known ✓ P00533 2/20 0.79
PRKCA known ✓ P17252 1/20 0.79
KDR known ✓ P35968 2/20 0.76
CA2 known ✓ P00918 1/20 0.76
ERBB2 known ✓ P04626 1/20 0.76
LCK known ✓ P06239 1/20 0.76
CSF1R known ✓ P07333 1/20 0.76
SRC known ✓ P12931 1/20 0.76
HRH2 known ✓ P25021 1/20 0.76
HTR2A known ✓ P28223 1/20 0.76
SLC6A4 known ✓ P31645 1/20 0.76
FLT3 known ✓ P36888 1/20 0.76
MAPK14 known ✓ Q16539 1/20 0.76
PLK4 O00444 1/20 0.76
DDX3X O00571 1/20 0.76

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL723757 0.99 PDGFRA (1.00) PDGFRAABL1KITBCRPDGFRB
SCHEMBL3065290 0.93 PDGFRA (0.89) PDGFRAABL1KITBCRPDGFRB
SCHEMBL3860423 0.93 PDGFRA (0.88) PDGFRAABL1KITBCRPDGFRB
SCHEMBL3860520 0.92 PDGFRA (0.87) PDGFRAABL1KITBCRPDGFRB
SCHEMBL805395 0.91 PDGFRA (0.85) PDGFRAABL1KITBCRPDGFRB
SCHEMBL27804782 0.91 PDGFRA (0.85) PDGFRAABL1KITBCRPDGFRB
SCHEMBL5189023 0.91 PDGFRA (0.85) PDGFRAABL1KITBCRPDGFRB
SCHEMBL25281830 0.90 PDGFRA (1.00) PDGFRAABL1KITBCRPDGFRB
SCHEMBL14292529 0.90 PDGFRA (0.84) PDGFRAABL1KITBCRPDGFRB
SCHEMBL21248036 0.90 PDGFRA (0.84) PDGFRAABL1KITBCRPDGFRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322634-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2009-12-16 EP disclosed
US-7329661-B2 N-phenyl-3-pyrimidine-amine derivatives NOVARTIS AG (CH) 2008-02-12 US disclosed
US-7312216-B2 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2007-12-25 US disclosed
US-20070265292-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES BUERGER HANS M 2007-11-15 US disclosed
US-20060223818-A1 N-phenyl-2-pyrimidine-amine derivatives BUERGER HANS M 2006-10-05 US disclosed
US-7081532-B2 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2006-07-25 US disclosed
US-20040102453-A1 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2004-05-27 US 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102453-A1 N-phenyl-2-pyrimidine-amine derivatives NUDT1, PNP, TYMP PDGFRA 77/4885ABL1 68/4885KIT 352/4885
US-20060223818-A1 N-phenyl-2-pyrimidine-amine derivatives NUDT1, PNP, TYMP PDGFRA 81/4885ABL1 66/4885KIT 468/4885
US-20070265292-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NUDT1, PNP, TYMP PDGFRA 81/4885ABL1 66/4885KIT 468/4885

“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.