Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1668162

Cl.O=C(Cc1cn2ccccc2n1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1

nearest known ligand 0.69

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 2)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 14/20 0.69
ORAI1 Q96D31 6/20 0.61

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
SCHEMBL12673221 0.99 CRACR2A (0.70) CRACR2AORAI1
Hydrochloric Acid SCHEMBL1889277 0.88 CRACR2A (0.67) CRACR2AORAI1
SCHEMBL1897432 0.87 CRACR2A (0.68) CRACR2AORAI1
SCHEMBL12661319 0.86 CRACR2A (0.54) CRACR2AORAI1
Hydrochloric Acid SCHEMBL1667954 0.83 CRACR2A (0.98) CRACR2AORAI1
SCHEMBL1670533 0.82 CRACR2A (1.00) CRACR2AORAI1
Hydrochloric Acid SCHEMBL1668853 0.79 CRACR2A (0.55) CRACR2AORAI1
Hydrochloric Acid SCHEMBL1669290 0.79 CRACR2A (0.79) CRACR2AORAI1
SCHEMBL1668003 0.78 CRACR2A (0.75) CRACR2AORAI1
SCHEMBL1668091 0.78 CRACR2A (0.81) CRACR2AORAI1

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
EP-3849552-A1 COMPOSITIONS COMPRISING A CRAC INHIBITOR AND A CORTICOSTEROID AND METHODS OF USE THEREOF Rhizen Pharmaceuticals AG (CH) 2021-07-21 EP claimed
WO-2020053834-A1 COMPOSITIONS COMPRISING A CRAC INHIBITOR AND A CORTICOSTEROID AND METHODS OF USE THEREOF RHIZEN PHARMACEUTICALS SA (CH) 2020-03-19 WO claimed
EP-3849552-A1 COMPOSITIONS COMPRISING A CRAC INHIBITOR AND A CORTICOSTEROID AND METHODS OF USE THEREOF Rhizen Pharmaceuticals AG (CH) 2021-07-21 EP disclosed
WO-2020053834-A1 COMPOSITIONS COMPRISING A CRAC INHIBITOR AND A CORTICOSTEROID AND METHODS OF USE THEREOF RHIZEN PHARMACEUTICALS SA (CH) 2020-03-19 WO disclosed
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2019-08-15 US disclosed
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2019-01-08 US disclosed
EP-2509974-B1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS S A (CH) 2018-04-11 EP disclosed
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2015-10-15 US disclosed
US-8993612-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2015-03-31 US disclosed
EP-2509974-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP disclosed
US-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 US disclosed
WO-2011042798-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 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 (4 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-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 CRACR2A 53/4885ORAI1 1/4885
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 CRACR2A 53/4885ORAI1 1/4885
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 CRACR2A 53/4885ORAI1 1/4885
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer ORAI1, CACNA1E, CACNB2 CRACR2A 55/4885ORAI1 1/4885

“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.