Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2052299

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1N.Cl

nearest known ligand 0.84

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 17/20 0.84
ERBB2 known ✓ P04626 6/20 0.84
SRC known ✓ P12931 3/20 0.62
JAK2 known ✓ O60674 1/20 0.62
ABL1 known ✓ P00519 1/20 0.62
LCK known ✓ P06239 1/20 0.62
CSF1R known ✓ P07333 1/20 0.62
MET known ✓ P08581 1/20 0.62
BCR known ✓ P11274 1/20 0.62
KDR known ✓ P35968 1/20 0.62
FLT3 known ✓ P36888 1/20 0.62
PRKCD known ✓ Q05655 1/20 0.62
ITK known ✓ Q08881 1/20 0.62
ERBB4 known ✓ Q15303 1/20 0.62
ALK known ✓ Q9UM73 1/20 0.62
STK4 Q13043 2/20 0.62
STK25 O00506 1/20 0.62
CIT O14578 1/20 0.62
CHEK1 O14757 1/20 0.62
GAK O14976 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
SCHEMBL2574073 0.99 EGFR (0.85) EGFRERBB2SRCSTK4STK25
SCHEMBL6383515 0.91 EGFR (1.00) EGFRERBB2SRCSTK4STK25
Hydrochloric Acid SCHEMBL2840495 0.91 EGFR (0.83) EGFRERBB2SRCMAP2K1
Hydrochloric Acid SCHEMBL2843055 0.91 EGFR (0.83) EGFRERBB2SRCMAP2K1
Hydrochloric Acid SCHEMBL13505731 0.90 EGFR (0.68) EGFRERBB2SRC
SCHEMBL1896455 0.90 EGFR (0.85) EGFRERBB2SRCMAP2K1
SCHEMBL3600034 0.89 EGFR (0.72) EGFRERBB2SRC
SCHEMBL2023939 0.89 EGFR (0.69) EGFRERBB2SRC
SCHEMBL14135437 0.89 EGFR (0.68) EGFRERBB2SRCSTK4
SCHEMBL28547159 0.88 STK4 (0.70) EGFRERBB2SRCSTK4MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US claimed
EP-2516403-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS Imperial Innovations Limited (GB) 2012-10-31 EP claimed
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US disclosed
WO-2011077095-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-06-30 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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885SRC 51/4885

“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.