SCHEMBL4498900

SCHEMBL4498900

FC(F)(F)c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.59
GSK3B P49841 5/20 0.56
FADS1 O60427 1/20 0.56
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNQ1 P51787 1/20 0.52
SCN5A Q14524 1/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.46
PRKAB2 O43741 4/20 0.45
PRKAG1 P54619 4/20 0.45
PRKAA2 P54646 4/20 0.45
PRKAA1 Q13131 4/20 0.45
PRKAG3 Q9UGI9 4/20 0.45
PRKAG2 Q9UGJ0 4/20 0.45
PRKAB1 Q9Y478 4/20 0.45
DHODH Q02127 2/20 0.44
CYP1A2 P05177 2/20 0.43
METAP2 P50579 1/20 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
SCHEMBL6206393 0.92 TRPA1 (0.51) TRPA1GSK3BFADS1KCNQ3KCNQ2
SCHEMBL4509554 0.89 FADS1 (0.59) TRPA1GSK3BFADS1KCNQ3KCNQ2
SCHEMBL4497901 0.88 GSK3B (0.70) TRPA1GSK3BFADS1CDK1CDK2
SCHEMBL4510158 0.87 GSK3B (0.60) TRPA1GSK3BFADS1CDK1CDK2
SCHEMBL4485622 0.87 GRM4 (0.53) TRPA1GSK3BFADS1KCNQ3KCNQ2
SCHEMBL4491322 0.85 GSK3B (0.80) GSK3BCDK1CDK2PRKAB2PRKAG1
SCHEMBL4500596 0.84 GSK3B (0.53) GSK3BCDK1CDK2PRKAB2PRKAG1
SCHEMBL4494950 0.83 TRPA1 (0.62) TRPA1GSK3BFADS1CDK1CDK2
SCHEMBL4497721 0.82 GSK3B (0.52) GSK3BCDK1CDK2PRKAB2PRKAG1
SCHEMBL4498877 0.82 PRKAB2 (0.57) TRPA1GSK3BFADS1CDK1CDK2

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 TRPA1 1308/4885GSK3B 3594/4885FADS1 2933/4885
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 TRPA1 3904/4885GSK3B 464/4885FADS1 1752/4885

“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.