SCHEMBL6478455

SCHEMBL6478455

CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(Cl)c(-c3ccc(C)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.53
CYP1A2 P05177 4/20 0.53
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
AHR P35869 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1234014 0.93 GSK3B (0.52) GSK3BCYP1A2CDK1CDK2ADORA1
SCHEMBL1462459 0.92 GSK3B (0.54) GSK3BCYP1A2CDK1CDK2ADORA3
SCHEMBL1461283 0.92 GSK3B (0.54) GSK3BCYP1A2CDK1CDK2KDM4E
SCHEMBL1460388 0.92 GSK3B (0.52) GSK3BCYP1A2CDK1CDK2KDM4E
SCHEMBL1461749 0.89 GSK3B (0.56) GSK3BCYP1A2CDK1CDK2ALDH1A1
SCHEMBL1461370 0.89 GSK3B (0.55) GSK3BCYP1A2CDK1CDK2ADORA1
SCHEMBL6486769 0.86 GSK3B (0.60) GSK3BCYP1A2CDK1CDK2
SCHEMBL1462452 0.86 ADORA3 (0.42) GSK3BCYP1A2ADORA3ADORA1KDM4E
SCHEMBL1461458 0.85 GSK3B (0.48) GSK3BCDK1CDK2ADORA3ADORA1
SCHEMBL1234380 0.84 GSK3B (0.47) GSK3BCYP1A2KDM4ENR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2342/4885CYP1A2 49/4885CDK1 2364/4885

“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.