Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16899733

Brc1cnn(C2CCCNC2)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
ACVR1 known ✓ Q04771 1/20 0.41
JAK2 known ✓ O60674 2/20 0.39
JAK1 known ✓ P23458 2/20 0.39
HTR2B known ✓ P41595 3/20 0.35
HTR3E known ✓ A5X5Y0 1/20 0.35
HTR3B known ✓ O95264 1/20 0.35
HTR3A known ✓ P46098 1/20 0.35
HTR3D known ✓ Q70Z44 1/20 0.35
HTR3C known ✓ Q8WXA8 1/20 0.35
MET known ✓ P08581 1/20 0.35
HTR6 known ✓ P50406 1/20 0.35
KDR known ✓ P35968 1/20 0.35
HTR2A known ✓ P28223 2/20 0.34
HTR2C known ✓ P28335 2/20 0.34
ACHE known ✓ P22303 3/20 0.33
BMPR1A P36894 1/20 0.41
ACVRL1 P37023 1/20 0.41
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
CHEK1 O14757 1/20 0.38

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
Hydrochloric Acid SCHEMBL16899760 1.00 BMPR1A (0.41) BMPR1AACVRL1ACVR1JAK2JAK1
Hydrochloric Acid SCHEMBL16899730 1.00 BMPR1A (0.41) BMPR1AACVRL1ACVR1JAK2JAK1
SCHEMBL16899731 0.98 BMPR1A (0.42) BMPR1AACVRL1ACVR1JAK2JAK1
SCHEMBL16899735 0.98 BMPR1A (0.42) BMPR1AACVRL1ACVR1JAK2JAK1
SCHEMBL16899815 0.98 BMPR1A (0.42) BMPR1AACVRL1ACVR1JAK2JAK1
SCHEMBL20519747 0.89 CHRNB2 (0.40) HTR2BMETKDM5AHTR6HTR2A
Hydrochloric Acid SCHEMBL1427789 0.83 KDM5A (0.36) JAK1KDM5A
Tert-Butyl Formate SCHEMBL27825726 0.83 JAK2 (0.36) BMPR1AACVRL1ACVR1JAK2JAK1
Tert-Butyl Formate SCHEMBL27825727 0.83 JAK2 (0.36) BMPR1AACVRL1ACVR1JAK2JAK1
SCHEMBL2600281 0.83 JAK2 (0.42) BMPR1AACVRL1ACVR1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867248-B1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-12-10 EP disclosed
US-20250115587-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2025-04-10 US disclosed
US-12234227-B2 Pyrazole derivatives as H4 antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-02-25 US disclosed
US-20240293381-A1 Therapeutic Compounds CELGENE QUANTICEL RES INC (US) 2024-09-05 US disclosed
CN-113272297-B Pyrazole derivatives as H4 antagonist compounds 赫普泰雅治疗有限公司 2024-03-19 CN disclosed
US-11890275-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. 2024-02-06 US disclosed
US-20210300906-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-09-30 US disclosed
CN-113272297-A Pyrazole derivatives as H4 antagonist compounds 赫普泰雅治疗有限公司 2021-08-17 CN disclosed
US-20210205284-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-07-08 US disclosed
US-11020380-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2021-06-01 US disclosed
US-20200163946-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-28 US disclosed
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 US disclosed
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 US disclosed
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
EP-3092225-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS Merck Patent GmbH (DE) 2016-11-16 EP disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 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 (12 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-12234227-B2 Pyrazole derivatives as H4 antagonist compounds HRH4, HRH3, HRH2 ACVR1 1242/4885JAK2 792/4885JAK1 1708/4885
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 ACVR1 3956/4885JAK2 35/4885JAK1 56/4885
US-11020380-B2 Therapeutic compounds EP300, BRD4, BRD3 ACVR1 3736/4885JAK2 396/4885JAK1 1390/4885
US-20240293381-A1 Therapeutic Compounds EP300, BRD4, BRD3 ACVR1 3736/4885JAK2 396/4885JAK1 1390/4885
US-20200163946-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 ACVR1 3736/4885JAK2 396/4885JAK1 1390/4885
US-20210300906-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HDAC3 ACVR1 1328/4885JAK2 594/4885JAK1 1462/4885
US-20180296543-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 ACVR1 3736/4885JAK2 396/4885JAK1 1390/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 ACVR1 3814/4885JAK2 62/4885JAK1 57/4885
US-20250115587-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HDAC3 ACVR1 1328/4885JAK2 594/4885JAK1 1462/4885
US-20210205284-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 ACVR1 3736/4885JAK2 396/4885JAK1 1390/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 ACVR1 3736/4885JAK2 396/4885JAK1 1390/4885
US-11890275-B2 Therapeutic compounds EP300, BRD4, BRD3 ACVR1 3736/4885JAK2 396/4885JAK1 1390/4885

“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.