SCHEMBL4497650

SCHEMBL4497650

C=CCNC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.73
CDK1 P06493 1/20 0.64
CDK2 P24941 1/20 0.64
CYP1A2 P05177 4/20 0.53
PRKAB2 O43741 4/20 0.46
PRKAG1 P54619 4/20 0.46
PRKAA2 P54646 4/20 0.46
PRKAA1 Q13131 4/20 0.46
PRKAG3 Q9UGI9 4/20 0.46
PRKAG2 Q9UGJ0 4/20 0.46
PRKAB1 Q9Y478 4/20 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
SCHEMBL4497559 0.86 GSK3B (0.74) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4485625 0.85 GSK3B (0.72) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4489096 0.85 GSK3B (1.00) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4499482 0.84 GSK3B (0.75) GSK3BCDK1CDK2CYP1A2
SCHEMBL27623027 0.83 GSK3B (0.70) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4492373 0.83 GSK3B (0.70) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL1461203 0.82 GSK3B (0.63) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4492707 0.82 GSK3B (0.69) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4499042 0.82 GSK3B (0.89) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4386971 0.81 GSK3B (0.66) GSK3BCDK1CDK2CYP1A2

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 7 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
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
US-7582669-B2 Aminoindazole derivatives as medicaments and pharmaceutical compositions including them AVENTIS PHARMA SA (FR) 2009-09-01 US 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
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 3594/4885CDK1 1614/4885CDK2 2075/4885
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 464/4885CDK1 380/4885CDK2 709/4885

“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.