SCHEMBL4491322

SCHEMBL4491322

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.80
CDK1 P06493 1/20 0.59
CDK2 P24941 1/20 0.59
CYP1A2 P05177 4/20 0.50
PRKAB2 O43741 3/20 0.48
PRKAG1 P54619 3/20 0.48
PRKAA2 P54646 3/20 0.48
PRKAA1 Q13131 3/20 0.48
PRKAG3 Q9UGI9 3/20 0.48
PRKAG2 Q9UGJ0 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
AURKB Q96GD4 3/20 0.47
KIT P10721 2/20 0.47
KDR P35968 2/20 0.47
FLT3 P36888 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
ROCK2 O75116 1/20 0.47
CHEK2 O96017 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL4493154 0.90 GSK3B (0.77) GSK3BCDK1CDK2CYP1A2AURKB
SCHEMBL4489096 0.90 GSK3B (1.00) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4489485 0.89 GSK3B (0.85) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4499042 0.89 GSK3B (0.89) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4498847 0.87 GSK3B (0.85) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4507688 0.85 GSK3B (0.83) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4498900 0.85 TRPA1 (0.59) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4501772 0.85 GSK3B (0.82) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL4495382 0.84 GSK3B (0.85) GSK3BCDK1CDK2CYP1A2PRKAB2
SCHEMBL27623022 0.84 GSK3B (0.74) GSK3BCDK1CDK2CYP1A2PRKAB2

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.