SCHEMBL1461387

SCHEMBL1461387

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
GSK3B P49841 9/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KLK7 P49862 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 2/20 0.39

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 0.90 GSK3B (0.49) GSK3BSMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL1462452 0.90 ADORA3 (0.42) ADORA3GSK3BKDM4EALDH1A1KMT2A
SCHEMBL1461577 0.90 GSK3B (0.50) HDAC1HDAC2HDAC8GSK3BHPGD
SCHEMBL1462473 0.90 GSK3B (0.42) ADORA3HDAC1HDAC2HDAC8GSK3B
SCHEMBL1462476 0.90 GSK3B (0.40) GSK3BKDM4EATM
SCHEMBL6478417 0.90 GSK3B (0.50) ADORA3GSK3BKDM4EATM
SCHEMBL6478527 0.89 GSK3B (0.55) GSK3BHPGDKDM4EALDH1A1
SCHEMBL6479274 0.88 GSK3B (0.52) GSK3BKDM4EATM
SCHEMBL1461898 0.88 GSK3B (0.52) GSK3BSMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL1461587 0.88 GSK3B (0.52) ADORA3GSK3BKDM4EATM

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 ADORA3 42/4885HDAC1 1547/4885HDAC2 1193/4885

“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.