Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3499092

CC(=O)c1cc(NC(=N)NC(=N)N)cc(C(C)=O)c1.Cl

nearest known ligand 0.43

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
JAK2 known ✓ O60674 2/20 0.43
ROCK2 known ✓ O75116 2/20 0.43
PRKCZ known ✓ Q05513 2/20 0.43
PRKCD known ✓ Q05655 2/20 0.43
ROCK1 known ✓ Q13464 2/20 0.43
FGFR3 known ✓ P22607 1/20 0.43
PRKCG known ✓ P05129 1/20 0.34
MET known ✓ P08581 1/20 0.34
FLT3 known ✓ P36888 1/20 0.34
CHEK1 O14757 2/20 0.43
AURKA O14965 2/20 0.43
CHUK O15111 2/20 0.43
DAPK3 O43293 2/20 0.43
PAK4 O96013 2/20 0.43
CHEK2 O96017 2/20 0.43
CDK1 P06493 2/20 0.43
PIM1 P11309 2/20 0.43
RPS6KB1 P23443 2/20 0.43
CDK2 P24941 2/20 0.43
MARK3 P27448 2/20 0.43

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
SCHEMBL6934470 0.98 CHEK1 (0.43) CHEK1AURKACHUKDAPK3JAK2
SCHEMBL6934207 0.84 CHEK1 (0.48) CHEK1AURKACHUKDAPK3JAK2
SCHEMBL6930252 0.84 KMT2A (0.55) POLBMEN1KMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL19371465 0.83 MAPT (0.49) POLBMEN1KMT2AALDH1A1NPC1
SCHEMBL17777448 0.81 MAPT (0.50) POLBMEN1KMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL5974134 0.78 CHEK1 (0.61) CHEK1AURKACHUKDAPK3JAK2
SCHEMBL7047330 0.76 FURIN (0.46) CHEK1AURKACHUKDAPK3JAK2
Hydrochloric Acid SCHEMBL19371387 0.76 SMN1; SMN2 (0.52) POLBMEN1KMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL21645395 0.75 GAA (0.44) PAK1MEN1KMT2AALDH1A1LMNA
SCHEMBL17777449 0.74 SMN1; SMN2 (0.53) POLBMEN1KMT2ATDP1ALDH1A1

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
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases CYTOKINE PHARMASCIENCES, INC (US) 2010-06-03 US disclosed
US-20060014760-A1 Compounds and methods of use to treat infectious diseases BUKRINSKY MICHAEL I 2006-01-19 US disclosed
US-6906076-B2 Compounds and methods of use to treat infectious diseases CYTOKINE PHARMASCIENCES, INC. (US) 2005-06-14 US disclosed
US-20040053815-A1 Compounds and methods of use to treat infectious diseases FERRING BV (NL) 2004-03-18 US disclosed
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP disclosed
US-6649797-B2 Contacting protein with a compound that is capable of stable reversible binding with basic amino acid residues of nuclear localization signal of protein for inactivating a nuclear localization signal of a protein THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2003-11-18 US disclosed
US-20020077271-A1 Compounds and methods of use to treat infectious diseases FERRING BV (NL) 2002-06-20 US disclosed
US-6297253-B1 INACTIVATING A NUCLEAR LOCALIZATION SIGNAL OF A PROTEIN COMPRISING CONTACTING THE PROTEIN WITH AN ARYL CARBONYL COMPOUND THAT FORMS STABLE REVERSIBLE COVALENT INTERACTIONS WITH NEIGHBORING BASIC AMINO ACID RESIDUES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-10-02 US disclosed
US-5840893-A TREATING MALARIA, HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-11-24 US disclosed
EP-0865434-A1 COMPOUNDS AND METHODS OF USE TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-09-23 EP disclosed
EP-0865434-A4 1998-09-23 EP disclosed
WO-1998016515-A1 COMPOUNDS AND METHODS TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-04-23 WO disclosed
US-5733932-A VIRICIDES MARKING AND BLOCKING SPECIFIC VIRAL PROTEINS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-03-31 US disclosed
US-5703086-A TREATMENT OF HIV INFECTIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-12-30 US disclosed
US-5620983-A BLOCKING MOVEMENT OF VIRAL GENOME PARTICLES THROUGH NUCLEAR MEMBRANE IN TERMINALLY DIFFERENTIATED CELLS TO PREVENT VIRAL INFECTIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-04-15 US disclosed
US-5574040-A DIALKANOYLPHENYLPYRIMIDINE DERIVATIVES PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-11-12 US disclosed
WO-1996020932-A1 COMPOUNDS AND METHODS OF USE TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-07-11 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-20060014760-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 JAK2 3382/4885ROCK2 3187/4885PRKCZ 3209/4885
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases KPNA1, NFATC1, MAVS JAK2 3142/4885ROCK2 2811/4885PRKCZ 3046/4885
US-20020077271-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 JAK2 3382/4885ROCK2 3187/4885PRKCZ 3209/4885
US-20040053815-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 JAK2 3382/4885ROCK2 3187/4885PRKCZ 3209/4885

“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.