SCHEMBL1462525

SCHEMBL1462525

CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GSK3A P49840 1/20 0.35

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
SCHEMBL6491490 0.88 GSK3B (0.49) GSK3BCYP1A2HPGDSMN1; SMN2ALDH1A1
SCHEMBL1462452 0.88 ADORA3 (0.42) GSK3BCYP1A2MEN1KMT2AALDH1A1
SCHEMBL1461749 0.87 GSK3B (0.56) GSK3BCYP1A2MAPTMEN1HTT
SCHEMBL1461577 0.87 GSK3B (0.50) GSK3BCYP1A2MAPTHPGDALDH1A1
SCHEMBL1462476 0.87 GSK3B (0.40) GSK3BCYP1A2MAPTKDM4EATM
SCHEMBL1462473 0.87 GSK3B (0.42) GSK3BKDM4EATML3MBTL1GSK3A
SCHEMBL6478417 0.87 GSK3B (0.50) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL1461387 0.86 ADORA3 (0.43) GSK3BKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL6479274 0.85 GSK3B (0.52) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL1461898 0.85 GSK3B (0.52) GSK3BCYP1A2HPGDSMN1; SMN2ALDH1A1

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
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 2342/4885CYP1A2 49/4885MAPT 4462/4885

“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.