SCHEMBL4509554

SCHEMBL4509554

FC(F)(F)c1cccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 5/20 0.59
GSK3B P49841 2/20 0.57
GRM4 Q14833 1/20 0.52
TRPA1 O75762 3/20 0.51
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50
ABCG2 Q9UNQ0 4/20 0.49
CTSC P53634 2/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNQ1 P51787 1/20 0.47
SCN5A Q14524 1/20 0.47
AURKB Q96GD4 1/20 0.45
IDH2 P48735 1/20 0.44
EGFR P00533 1/20 0.44
ULK1 O75385 1/20 0.44

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
SCHEMBL4498900 0.89 TRPA1 (0.59) FADS1GSK3BTRPA1CDK1CDK2
SCHEMBL4485622 0.87 GRM4 (0.53) FADS1GSK3BGRM4TRPA1CDK1
SCHEMBL4497901 0.86 GSK3B (0.70) FADS1GSK3BTRPA1CDK1CDK2
SCHEMBL4493154 0.86 GSK3B (0.77) GSK3BCDK1CDK2AURKBEGFR
SCHEMBL6206393 0.84 TRPA1 (0.51) FADS1GSK3BGRM4TRPA1CDK1
SCHEMBL4504355 0.83 GSK3B (0.51) GSK3BCDK1CDK2
SCHEMBL4494950 0.81 TRPA1 (0.62) FADS1GSK3BGRM4TRPA1CDK1
SCHEMBL1378090 0.81 GSK3B (0.53) FADS1GSK3BGRM4TRPA1CDK1
SCHEMBL4510158 0.81 GSK3B (0.60) FADS1GSK3BGRM4TRPA1CDK1
SCHEMBL4503888 0.80 FADS1 (0.59) FADS1GSK3BGRM4CDK1CDK2

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 13 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
EP-1537087-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2005-06-08 EP 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
WO-2004022544-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-03-18 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 (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 FADS1 2933/4885GSK3B 3594/4885GRM4 444/4885
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 FADS1 1752/4885GSK3B 464/4885GRM4 434/4885

“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.