Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6480219

CNC(=O)c1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1.Cl.Cl

nearest known ligand 0.70

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
KDR known ✓ P35968 19/20 0.70
FLT1 known ✓ P17948 15/20 0.70
PDGFRB known ✓ P09619 7/20 0.62
KIT known ✓ P10721 6/20 0.62
FLT4 known ✓ P35916 3/20 0.62
CSF1R known ✓ P07333 2/20 0.62
EGFR known ✓ P00533 1/20 0.62
RET known ✓ P07949 1/20 0.62
PDGFRA known ✓ P16234 1/20 0.62
MAP3K20 Q9NYL2 2/20 0.62
CIT O14578 1/20 0.62
HLA-A P04439 1/20 0.62
RPS6KB1 P23443 1/20 0.62
FRK P42685 1/20 0.62
CDK8 P49336 1/20 0.62
DDR1 Q08345 1/20 0.62
STK3 Q13188 1/20 0.62
PTK6 Q13882 1/20 0.62
MAP3K19 Q56UN5 1/20 0.62
CDK19 Q9BWU1 1/20 0.62

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
SCHEMBL6479831 0.99 KDR (0.71) KDRFLT1PDGFRBKITFLT4
SCHEMBL6474354 0.95 KDR (0.66) KDRFLT1PDGFRBKITFLT4
Hydrochloric Acid SCHEMBL6474025 0.89 KDR (0.68) KDRFLT1PDGFRBKITFLT4
SCHEMBL6482081 0.88 KDR (0.69) KDRFLT1PDGFRBKITFLT4
SCHEMBL6473559 0.86 KDR (0.66) KDRFLT1PDGFRBKITFLT4
SCHEMBL6474476 0.85 KDR (0.76) KDRFLT1PDGFRBKITFLT4
Hydrochloric Acid SCHEMBL6598507 0.84 KDR (0.66) KDRFLT1PDGFRBKITFLT4
SCHEMBL6473753 0.83 KDR (0.53) KDRFLT1PDGFRBKITFLT4
SCHEMBL2203415 0.83 KDR (0.54) KDRFLT1PDGFRBKITFLT4
SCHEMBL6603369 0.83 KDR (0.67) KDRFLT1PDGFRBKITFLT4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903101-B1 Substituted pyridazines and fused pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US claimed
US-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives BAYER HEALTHCARE LLC 2005-01-27 US claimed
EP-1467736-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2004-10-20 EP claimed
EP-1208096-B1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER AG (US) 2004-04-28 EP claimed
WO-2003059354-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO claimed
US-6903101-B1 Substituted pyridazines and fused pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
EP-1208096-B1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER AG (US) 2004-04-28 EP disclosed
EP-1208096-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-05-29 EP disclosed
WO-2001010859-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-02-15 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 (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-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 KDR 1/4885FLT1 3/4885PDGFRB 7/4885

“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.