SCHEMBL1461489

SCHEMBL1461489

CC=CC(=O)Nc1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
FADS1 O60427 1/20 0.47
MAP2K4 P45985 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPKAPK3 Q16644 2/20 0.47
MAPK6 Q16659 2/20 0.47
MAPKAPK2 P49137 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.44
CCR2 P41597 6/20 0.43
KCNH2 Q12809 6/20 0.43
TRPA1 O75762 2/20 0.42
ULK1 O75385 1/20 0.41
KIF11 P52732 1/20 0.41
NTRK1 P04629 1/20 0.41
DYRK1A Q13627 1/20 0.40

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
SCHEMBL1461487 1.00 GSK3B (0.53) GSK3BFADS1MAP2K4MAPK1MAPKAPK3
SCHEMBL15484243 1.00 GSK3B (0.53) GSK3BFADS1MAP2K4MAPK1MAPKAPK3
SCHEMBL15484305 0.90 GSK3B (0.65) GSK3BMAP2K4MAPK1MAPK6HDAC6
SCHEMBL6486239 0.90 GSK3B (0.65) GSK3BMAP2K4MAPK1MAPK6HDAC6
SCHEMBL6479860 0.90 GSK3B (0.65) GSK3BMAP2K4MAPK1MAPK6HDAC6
SCHEMBL15484445 0.82 FADS1 (0.45) GSK3BFADS1MAP2K4MAPK1MAPKAPK3
SCHEMBL6480266 0.82 FADS1 (0.45) GSK3BFADS1MAP2K4MAPK1MAPKAPK3
SCHEMBL6480270 0.82 FADS1 (0.45) GSK3BFADS1MAP2K4MAPK1MAPKAPK3
SCHEMBL6476809 0.79 GSK3B (0.82) GSK3BDYRK1A
SCHEMBL628596 0.76 FADS1 (0.58) GSK3BFADS1MAP2K4MAPK1MAPKAPK3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP claimed
JP-4648630-B2 2011-03-09 JP claimed
JP-2005530711-A 2005-10-13 JP claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
EP-1487804-A2 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-12-22 EP claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
WO-2003078403-A2 DERIVES D’AMINOINDAZOLES COMME INHIBITEURS DE PROTEINE-KINASE AVENTIS PHARMA S.A. (FR) 2003-09-25 WO claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
EP-1487804-A2 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US disclosed
WO-2003078403-A2 DERIVES D’AMINOINDAZOLES COMME INHIBITEURS DE PROTEINE-KINASE AVENTIS PHARMA S.A. (FR) 2003-09-25 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 (1 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 GSK3B 2342/4885FADS1 2727/4885MAP2K4 4219/4885

“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.