Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5974367

CC(=O)c1cc(NC(CCCC(=NNC(=N)N)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)=NNC(=N)N)cc(C(C)=O)c1.Cl.Cl.Cl.Cl

nearest known ligand 0.59

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
ROCK2 known ✓ O75116 3/20 0.59
PRKCZ known ✓ Q05513 3/20 0.59
PRKCD known ✓ Q05655 3/20 0.59
ROCK1 known ✓ Q13464 3/20 0.59
JAK2 known ✓ O60674 2/20 0.59
FGFR3 known ✓ P22607 1/20 0.59
PRKCG known ✓ P05129 2/20 0.39
MET known ✓ P08581 1/20 0.39
FLT3 known ✓ P36888 1/20 0.39
CHEK1 O14757 3/20 0.59
DAPK3 O43293 3/20 0.59
CHEK2 O96017 3/20 0.59
CDK1 P06493 3/20 0.59
PIM1 P11309 3/20 0.59
RPS6KB1 P23443 3/20 0.59
CDK2 P24941 3/20 0.59
AKT1 P31749 3/20 0.59
AKT2 P31751 3/20 0.59
MAPKAPK2 P49137 3/20 0.59
RPS6KA3 P51812 3/20 0.59

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
SCHEMBL6326351 0.99 CHEK1 (0.60) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5973967 0.98 CHEK1 (0.59) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5974249 0.96 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL2274914 0.96 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5974369 0.96 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5974644 0.96 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5975382 0.96 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
SCHEMBL6329737 0.96 CHEK1 (0.60) CHEK1DAPK3ROCK2CHEK2CDK1
SCHEMBL6334525 0.95 CHEK1 (0.59) CHEK1DAPK3ROCK2CHEK2CDK1
SCHEMBL2954348 0.95 CHEK1 (0.59) CHEK1DAPK3ROCK2CHEK2CDK1

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-1160240-B1 Guanylhydrazones for treating inflammatory conditions CYTOKINE PHARMASCIENCES INC (US) 2006-11-22 EP disclosed
EP-0746312-B1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS PICOWER INST MED RES (US) 2002-09-25 EP disclosed
US-20020028851-A1 Aromatic guanylhydrazones (amidinohydrazones) used to prevent and ameliorating cachexia; to inhibit the uptake of arginine by macrophages and/or its conversion to urea; to prevent the generation of nitric oxide (NO) and tumor necrosis factor BIANCHI MARINA (IT) 2002-03-07 US disclosed
EP-1160240-A1 Guanylhydrazones for treating inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2001-12-05 EP disclosed
US-6248787-B1 REDUCING CACHEXIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-06-19 US disclosed
US-6180676-B1 THERAPY FOR CACHEXIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-01-30 US disclosed
US-6022900-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-02-08 US disclosed
US-6008255-A TREATING ENDOTOXIC SHOCK BY ADMINISTERING COMPOUNDS OF GIVEN FORMULA WHICH ARE AROMATICS SUBSTITUTED WITH MULTIPLE GUANYLHYDRAZONE MOIETIES, MORE PROPERLY TERMED AMIDINOHYDRAZONES (H2N-C(=NH)-NH-N=) THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-12-28 US disclosed
US-5859062-A ADMINISTERING TO TREAT INFLAMMATORY DISEASES MEDIATED BY TUMOR NECROSIS FACTOR THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-01-12 US disclosed
US-5849794-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-15 US disclosed
US-5753684-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-05-19 US disclosed
US-5750573-A PREVENTING AND TREATING CACHEXIA, THE CLINICAL SYNDROME OF POOR NUTRITION AND BODILY WASTING ASSOCIATED WITH CANCER AND CHRONIC DISEASES; ARGINASE INHIBITORS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-05-12 US disclosed
US-5599984-A AROMATIC AMIDINOHYDRAZONES AS INHIBITORS FOR THE UPTAKE OF ARGININE BY MACROPHAGES AND/OR ITS CONVERSION TO UREA; PREVENTION OF NITRIC OXIDE GENERATION; CACHEXIA; METABOLIC SYNDROMES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-02-04 US 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 (1 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-20020028851-A1 Aromatic guanylhydrazones (amidinohydrazones) used to prevent and ameliorating cachexia; to inhibit the uptake of arginine by macrophages and/or its conversion to urea; to prevent the generation of nitric oxide (NO) and tumor necrosis factor ARG1, ARG2, NOS3 ROCK2 2405/4885PRKCZ 3831/4885PRKCD 3488/4885

“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.