Sugi Predict

Sugi Predict / Compounds / SCHEMBL6485157

SCHEMBL6485157

SCHEMBL6485157

CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3cc(F)cc(F)c3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 17/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PLK4 O00444 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 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
SCHEMBL6478417 0.93 GSK3B (0.50) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL6478333 0.89 GSK3B (0.51) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL1462452 0.89 ADORA3 (0.42) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL6491490 0.89 GSK3B (0.49) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL1462476 0.88 GSK3B (0.40) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL1462473 0.88 GSK3B (0.42) GSK3BKDM4EATML3MBTL1ADORA3
SCHEMBL1461577 0.88 GSK3B (0.50) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL1462443 0.87 GSK3B (0.52) GSK3BCYP1A2KDM4EATML3MBTL1
SCHEMBL1461387 0.87 ADORA3 (0.43) GSK3BKDM4EATMADORA3
SCHEMBL6478386 0.87 GSK3B (0.54) GSK3BCYP1A2KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 — — US claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 — — US 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 49/4885KDM4E 3563/4885

“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.