Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20135692

C[C@H]1CN(Cc2ccccc2)C1C(=O)O.Cl

nearest known ligand 0.56

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 10)

geneUniProtsupporting neighboursconfidence
S1PR5 known ✓ Q9H228 2/20 0.45
S1PR1 known ✓ P21453 1/20 0.45
MAPT P10636 1/20 0.56
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
BRD4 O60885 2/20 0.43
GRM6 O15303 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL26186740 0.98 MAPT (0.58) MAPTS1PR5S1PR1PDK1PDK2
SCHEMBL17986812 0.98 MAPT (0.58) MAPTS1PR5S1PR1PDK1PDK2
SCHEMBL20135465 0.98 MAPT (0.58) MAPTS1PR5S1PR1PDK1PDK2
SCHEMBL26186803 0.98 MAPT (0.58) MAPTS1PR5S1PR1PDK1PDK2
Hydrochloric Acid SCHEMBL28654829 0.83 MAPT (0.49) MAPTPDK1PDK2PDK3PDK4
SCHEMBL20146480 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL17986811 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL22039863 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL22039864 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL30636976 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321271-B1 METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF JAPAN TOBACCO INC (JP) 2024-05-29 EP disclosed
US-20240140967-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF LEO PHARMA A/S (DK) 2024-05-02 US disclosed
US-11673900-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAPAN TOBACCO INC. (JP) 2023-06-13 US disclosed
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAPAN TOBACCO INC. (JP) 2022-05-24 US disclosed
US-11312728-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and co-crystals thereof JAPAN TOBACCO INC. (JP) 2022-04-26 US disclosed
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAPAN TOBACCO INC. (JP) 2020-11-03 US disclosed
US-20200216470-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAPAN TOBACCO INC. (JP) 2020-07-09 US disclosed
US-20200165269-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND CO-CRYSTALS THEREOF SHIONOGI & CO., LTD. (JP) 2020-05-28 US disclosed
EP-3560932-A1 METHOD FOR PRODUCING 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AND SYNTHETIC INTERMEDIATE OF SAME Japan Tobacco, Inc. (JP) 2019-10-30 EP disclosed
EP-3559003-A1 CRYSTALLINE FORMS OF A JANUS KINASE INHIBITOR JAPAN TOBACCO INC. (JP) 2019-10-30 EP disclosed
EP-3560931-A1 METHOD FOR PRODUCING 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, AND COCRYSTAL OF SAID DERIVATIVE Japan Tobacco, Inc. (JP) 2019-10-30 EP disclosed
WO-2018117153-A1 CRYSTALLINE FORMS OF A JANUS KINASE INHIBITOR JAPAN TOBACCO INC. (JP) 2018-06-28 WO disclosed
EP-3321271-A1 METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF Japan Tobacco, Inc. (JP) 2018-05-16 EP 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 (7 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-11312728-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and co-crystals thereof JAK1, JAK3, JAK2 S1PR5 1974/4885S1PR1 1965/4885MAPT 2810/4885
US-11673900-B2 Process for preparing 7H-pyrrolo[2,3-d]pyrimidine derivatives and synthetic intermediates thereof JAK1, JAK3, JAK2 S1PR5 1351/4885S1PR1 1093/4885MAPT 3780/4885
US-11339181-B2 Crystalline forms of a Janus kinase inhibitor JAK1, JAK3, JAK2 S1PR5 2263/4885S1PR1 1578/4885MAPT 2011/4885
US-20200216470-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 S1PR5 1351/4885S1PR1 1093/4885MAPT 3780/4885
US-20240140967-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND SYNTHETIC INTERMEDIATES THEREOF JAK1, JAK3, JAK2 S1PR5 1351/4885S1PR1 1093/4885MAPT 3780/4885
US-10822354-B2 Method for producing 7h-pyrrolo[2, 3-d]pyrimidine derivative and intermediate thereof JAK1, JAK3, JAK2 S1PR5 1262/4885S1PR1 1073/4885MAPT 3815/4885
US-20200165269-A1 PROCESS FOR PREPARING 7H-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES AND CO-CRYSTALS THEREOF JAK1, JAK3, JAK2 S1PR5 1974/4885S1PR1 1965/4885MAPT 2810/4885

“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.