SCHEMBL4493589

SCHEMBL4493589

O=S(=O)(Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.54
CYP1A2 P05177 1/20 0.53
CDK1 P06493 1/20 0.53
CDK2 P24941 1/20 0.53
MAP2K4 P45985 5/20 0.52
KDM4E B2RXH2 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
MAP2K7 O14733 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
CDKL2 Q92772 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL4502136 0.92 GSK3B (0.60) GSK3BCYP1A2CDK1CDK2KDM4E
SCHEMBL4496851 0.89 GSK3B (0.55) GSK3BCYP1A2CDK1CDK2MAP2K4
SCHEMBL4497721 0.89 GSK3B (0.52) GSK3BCYP1A2CDK1CDK2MAP2K4
SCHEMBL4496233 0.86 PRKAB2 (0.65) GSK3BCDK1CDK2MAP2K4PRKAB2
SCHEMBL4492488 0.86 GSK3B (0.53) GSK3BCYP1A2CDK1CDK2PRKAB2
SCHEMBL4500606 0.84 GSK3B (0.62) GSK3BCYP1A2CDK1CDK2KDM4E
SCHEMBL1379072 0.82 GSK3B (0.57) GSK3BCDK1CDK2MAP2K4KDM4E
SCHEMBL4497832 0.82 GSK3B (0.61) GSK3BCYP1A2CDK1CDK2PRKAB2
SCHEMBL4510158 0.81 GSK3B (0.60) GSK3BCYP1A2CDK1CDK2MAP2K4
SCHEMBL1461997 0.81 PRKAB2 (0.58) GSK3BCDK1CDK2MAP2K4PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP claimed
US-7166629-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2007-01-23 US claimed
CN-1678589-A Novel aminoindazole derivatives as medicaments and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2005-10-05 CN claimed
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia AVENTIS PHARMA S.A. (FR) 2004-06-10 US claimed
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP disclosed
US-7582669-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2009-09-01 US disclosed
CN-1982316-A Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2007-06-20 CN disclosed
US-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-7166629-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
CN-1678589-A Novel aminoindazole derivatives as medicaments and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2005-10-05 CN disclosed
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia AVENTIS PHARMA S.A. (FR) 2004-06-10 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 (2 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-20070093479-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SUCNR1, CNR1, SIGMAR1 GSK3B 3594/4885CYP1A2 189/4885CDK1 1614/4885
US-20040110956-A1 3-aminoindazole derivatives, e.g., N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine; treating diseases involving phosphorylation of the tau protein such as Alzheimer's disease, Parkinson's disease, and frontoparietal dementia OXSR1, OXER1, OXGR1 GSK3B 464/4885CYP1A2 747/4885CDK1 380/4885

“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.