Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17822988

CNC(=O)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2n[nH]c(=O)n2C2CC2)c1.Cl

nearest known ligand 0.41

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
KIT known ✓ P10721 1/20 0.40
GLA known ✓ P06280 3/20 0.38
GAA known ✓ P10253 3/20 0.38
MAPK14 known ✓ Q16539 2/20 0.37
LRRK2 Q5S007 3/20 0.41
ACSS2 Q9NR19 1/20 0.39
PIN1 Q13526 1/20 0.39
CHEK2 O96017 1/20 0.38
MAP4K1 Q92918 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP30 Q70CQ3 3/20 0.38
CSNK1D P48730 2/20 0.38
MTOR P42345 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
GSK3B P49841 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL17823092 0.99 LRRK2 (0.42) LRRK2KITACSS2PIN1CHEK2
Hydrochloric Acid SCHEMBL17823071 0.90 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL17823083 0.89 KDM4E (0.42) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL19715278 0.88 CHEK2 (0.42) CHEK2KDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL17823066 0.88 KMT2A (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL17822993 0.87 CHEK2 (0.43) CHEK2KDM4EALDH1A1GLAGAA
SCHEMBL17823031 0.87 ALDH1A1 (0.39) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL19715283 0.82 MAPK14 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19715268 0.81 MAPK14 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL17832405 0.81 KMT2A (0.40) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207474-B Substituted heterocycles as bromodomain inhibitors 恒翼生物医药科技(上海)有限公司 2021-05-07 CN claimed
EP-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 EP claimed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US claimed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US claimed
EP-3230277-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS Zenith Epigenetics Ltd. (CA) 2017-10-18 EP claimed
WO-2016092375-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-16 WO claimed
CN-107207474-B Substituted heterocycles as bromodomain inhibitors 恒翼生物医药科技(上海)有限公司 2021-05-07 CN disclosed
EP-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 EP disclosed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
EP-3230277-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS Zenith Epigenetics Ltd. (CA) 2017-10-18 EP disclosed
WO-2016092375-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-16 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-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 KIT 3224/4885GLA 2049/4885GAA 3050/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 KIT 3224/4885GLA 2049/4885GAA 3050/4885

“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.