SCHEMBL4494950

SCHEMBL4494950

Fc1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1F

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.62
GSK3B P49841 4/20 0.57
CDK1 P06493 1/20 0.53
CDK2 P24941 1/20 0.53
GRM4 Q14833 3/20 0.49
FADS1 O60427 4/20 0.48
CYP1A2 P05177 2/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK14 Q16539 1/20 0.46
ABCG2 Q9UNQ0 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
SCHEMBL6208060 0.93 TRPA1 (0.55) TRPA1GSK3BCDK1CDK2GRM4
SCHEMBL4510158 0.88 GSK3B (0.60) TRPA1GSK3BCDK1CDK2GRM4
SCHEMBL4497901 0.86 GSK3B (0.70) TRPA1GSK3BCDK1CDK2FADS1
SCHEMBL4498900 0.83 TRPA1 (0.59) TRPA1GSK3BCDK1CDK2FADS1
SCHEMBL4500190 0.82 GSK3B (0.56) TRPA1GSK3BCDK1CDK2FADS1
SCHEMBL4496261 0.82 GSK3B (0.56) TRPA1GSK3BCDK1CDK2FADS1
SCHEMBL4508742 0.82 GSK3B (0.58) GSK3BCDK1CDK2FADS1CYP1A2
SCHEMBL4509554 0.81 FADS1 (0.59) TRPA1GSK3BCDK1CDK2GRM4
SCHEMBL4498877 0.81 PRKAB2 (0.57) TRPA1GSK3BCDK1CDK2FADS1
SCHEMBL2333075 0.81 GSK3B (0.57) TRPA1GSK3BCDK1CDK2GRM4

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 8 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
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
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 TRPA1 1308/4885GSK3B 3594/4885CDK1 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 TRPA1 3904/4885GSK3B 464/4885CDK1 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.