Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15565027

Cl.Cl.Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1Cl

nearest known ligand 0.81

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 18/20 0.81
KDR known ✓ P35968 4/20 0.81
ERBB2 known ✓ P04626 4/20 0.72
SRC known ✓ P12931 4/20 0.72
KIT known ✓ P10721 3/20 0.72
ERBB4 known ✓ Q15303 3/20 0.72
ABL1 known ✓ P00519 2/20 0.72
LCK known ✓ P06239 2/20 0.72
RET known ✓ P07949 2/20 0.72
MET known ✓ P08581 2/20 0.72
FLT3 known ✓ P36888 2/20 0.72
PRKD3 known ✓ O94806 1/20 0.72
FLT4 known ✓ P35916 1/20 0.72
SLC6A3 known ✓ Q01959 1/20 0.72
KCNH2 known ✓ Q12809 1/20 0.72
PRKD1 known ✓ Q15139 1/20 0.72
MAPK14 known ✓ Q16539 1/20 0.72
HRH3 known ✓ Q9Y5N1 1/20 0.72
PDGFRB known ✓ P09619 1/20 0.64
BCR known ✓ P11274 1/20 0.64

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
SCHEMBL1151056 0.99 EGFR (0.82) EGFRKDRBRAFERBB2SRC
SCHEMBL7766288 0.92 EGFR (0.73) EGFRKDRBRAFERBB2SRC
SCHEMBL12694361 0.90 EGFR (1.00) EGFRKDRBRAFERBB2SRC
SCHEMBL29577833 0.88 EGFR (0.92) EGFRKDRBRAFERBB2SRC
SCHEMBL28713534 0.88 EGFR (0.92) EGFRKDRBRAFERBB2SRC
SCHEMBL27727371 0.86 EGFR (0.65) EGFRKDRBRAFERBB2SRC
Hydrochloric Acid SCHEMBL7859457 0.86 KDR (0.72) EGFRKDRBRAFERBB2SRC
SCHEMBL31491114 0.85 EGFR (0.87) EGFRKDRBRAFERBB2SRC
SCHEMBL7864729 0.85 KDR (0.73) EGFRKDRBRAFERBB2SRC
Gefitinib SCHEMBL11776 0.85 EGFR (0.98) EGFRKDRBRAFERBB2SRC

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-4189121-A1 DIAGNOSTIC AND THERAPEUTIC METHODS FOR LYMPHOMA GENENTECH, INC. (US) 2023-06-07 EP disclosed
CN-114980928-A Over-activated dendritic cells can achieve durable anti-tumor immunity based on adoptive cell transfer 儿童医学中心公司 2022-08-30 CN disclosed
CN-112771177-A Molecular gene tags and methods of use thereof 纳米线科技公司 2021-05-07 CN disclosed
US-10583111-B2 Method for preventing or treating diseases associated with the inhibition of EGFR ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2020-03-10 US disclosed
US-20190282536-A1 METHOD FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH THE INHIBITION OF EGFR SHANGHAI JIAO TONG UNIVERSITY (CN) 2019-09-19 US disclosed
EP-2882718-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2015-06-17 EP disclosed
WO-2014023258-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-02-13 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-20190282536-A1 METHOD FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH THE INHIBITION OF EGFR EGFR, ERBB2, KIT EGFR 1/4885KDR 68/4885ERBB2 2/4885
US-10583111-B2 Method for preventing or treating diseases associated with the inhibition of EGFR EGFR, ERBB2, KIT EGFR 1/4885KDR 68/4885ERBB2 2/4885

“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.