Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8933873

COc1cc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC.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
EGFR known ✓ P00533 5/20 0.67
PDGFRA known ✓ P16234 4/20 0.65
ERBB2 known ✓ P04626 1/20 0.64
KDR known ✓ P35968 3/20 0.62
ABL1 known ✓ P00519 1/20 0.62
LCK known ✓ P06239 1/20 0.62
SRC known ✓ P12931 1/20 0.62
ACVR1 known ✓ Q04771 1/20 0.62
KIT known ✓ P10721 1/20 0.57
PDGFRB known ✓ P09619 1/20 0.53
FGFR2 P21802 5/20 0.70
RIPK2 O43353 2/20 0.65
EPHB2 P29323 1/20 0.65
GAK O14976 3/20 0.62
BMPR1B O00238 1/20 0.62
EPHB6 O15197 1/20 0.62
EPHA1 P21709 1/20 0.62
EPHA8 P29322 1/20 0.62
MAP2K5 Q13163 1/20 0.62
COQ8A Q8NI60 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
SCHEMBL8809979 0.99 FGFR2 (0.72) FGFR2EGFRRIPK2EPHB2PDGFRA
Hydrochloric Acid SCHEMBL8933671 0.91 EGFR (0.67) FGFR2EGFRRIPK2EPHB2PDGFRA
SCHEMBL31123432 0.89 EGFR (0.69) FGFR2EGFRRIPK2EPHB2PDGFRA
SCHEMBL8501712 0.88 EGFR (0.74) FGFR2EGFRRIPK2PDGFRAKDR
SCHEMBL24143588 0.88 FGFR2 (0.81) FGFR2EGFRRIPK2PDGFRAKDR
SCHEMBL15607618 0.88 FGFR2 (0.58) FGFR2EGFRRIPK2EPHB2PDGFRA
Hydrochloric Acid SCHEMBL8933904 0.87 EGFR (0.62) FGFR2EGFRRIPK2EPHB2PDGFRA
Hydrochloric Acid SCHEMBL8808103 0.86 EGFR (0.61) FGFR2EGFRRIPK2EPHB2PDGFRA
SCHEMBL1387146 0.85 EGFR (0.62) FGFR2EGFRRIPK2EPHB2PDGFRA
SCHEMBL30017094 0.83 FGFR2 (0.61) FGFR2EGFRRIPK2PDGFRAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 US disclosed
US-20180256577-A1 KSR Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-09-13 US disclosed
EP-3283466-A1 KSR ANTAGONISTS Icahn School of Medicine at Mount Sinai (US) 2018-02-21 EP disclosed
WO-2016168704-A1 KSR ANTAGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-10-20 WO disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-10548897-B2 KSR antagonists KSR1, KSR2, KRAS EGFR 182/4885PDGFRA 1558/4885ERBB2 411/4885
US-20180256577-A1 KSR Antagonists KSR1, KSR2, KRAS EGFR 182/4885PDGFRA 1558/4885ERBB2 411/4885

“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.