Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7537072

Cc1cc2c(N3CCc4ccc(Br)c(C)c43)ncnc2cn1.Cl

nearest known ligand 0.40

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
EGFR known ✓ P00533 6/20 0.40
CSF1R known ✓ P07333 1/20 0.40
CHRM4 known ✓ P08173 2/20 0.34
KIT known ✓ P10721 1/20 0.33
KDR known ✓ P35968 2/20 0.32
RET known ✓ P07949 1/20 0.32
PDGFRB known ✓ P09619 1/20 0.31
ACHE known ✓ P22303 1/20 0.31
HTT P42858 4/20 0.36
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KIF5B P33176 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7662383 0.99 EGFR (0.39) EGFRCSF1RHTTCHRM4KIT
Hydrochloric Acid SCHEMBL7543133 0.82 RET (0.36) EGFRCSF1RHTTCHRM4KDM4E
SCHEMBL8650905 0.81 EGFR (0.61) EGFRCSF1RKITKDRRET
SCHEMBL7663523 0.81 RET (0.37) EGFRCSF1RHTTCHRM4KDR
Hydrochloric Acid SCHEMBL8645943 0.80 EGFR (0.46) EGFRCSF1RKITKDM4EMAPT
Hydrochloric Acid SCHEMBL7538208 0.77 EGFR (0.42) EGFRCSF1RHTTCHRM4KIT
SCHEMBL7662154 0.76 EGFR (0.41) EGFRCSF1RHTTCHRM4KIT
SCHEMBL7675995 0.75 EGFR (0.47) EGFRCSF1RHTTCHRM4KIT
SCHEMBL7535430 0.75 EGFR (0.47) EGFRCSF1RHTTKITKDM4E
Hydrochloric Acid SCHEMBL7538105 0.73 EGFR (0.37) EGFRCSF1RHTTKITKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3290666-B2 2002-06-10 JP claimed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP claimed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP claimed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 WO claimed
US-6413971-B1 ANTIPROLIFERATIVE, -CARCINOGENIC, -TUMOR AND -DIABETIC AGENTS; BINDING TO OR MODULATING THE HUMAN KINASE INSERT-DOMAIN-CONTAINING RECEPTOR (KDR) OR THE MURINE FETAL LIVER KINASE 1 (FLK-1) RECEPTOR; VASCULOGENESIS; ANGIOGENESIS PFIZER INC 2002-07-02 US disclosed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US disclosed
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES ARNOLD LEE DANIEL (US) 2002-04-18 US disclosed
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP disclosed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 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 (1 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-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES REV1, DPYD, CCNA1 EGFR 565/4885CSF1R 1717/4885CHRM4 4701/4885

“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.