Sugi Predict

Sugi Predict / Compounds / SCHEMBL6480470

SCHEMBL6480470

SCHEMBL6480470

C/C=C\c1ccc2c(NC(=O)CCC)nn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.52
▸ KDM4E B2RXH2 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3A P49840 1/20 0.33

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
SCHEMBL6480474 1.00 GSK3B (0.52) GSK3BKDM4EL3MBTL1ATMALDH1A1
SCHEMBL6487415 0.84 GSK3B (0.46) GSK3BKDM4EL3MBTL1ATMALDH1A1
SCHEMBL1235039 0.84 GSK3B (0.46) GSK3BKDM4EL3MBTL1ATMALDH1A1
SCHEMBL1462452 0.83 ADORA3 (0.42) GSK3BKDM4EL3MBTL1ATMALDH1A1
SCHEMBL6491490 0.83 GSK3B (0.49) GSK3BKDM4EL3MBTL1ATMALDH1A1
SCHEMBL1461576 0.82 GSK3B (0.50) GSK3BKDM4EL3MBTL1ATMALDH1A1
SCHEMBL1461577 0.82 GSK3B (0.50) GSK3BKDM4EL3MBTL1ATMALDH1A1
SCHEMBL1462476 0.82 GSK3B (0.40) GSK3BKDM4EL3MBTL1ATMMAPT
SCHEMBL6478417 0.82 GSK3B (0.50) GSK3BKDM4EL3MBTL1ATMGSK3A
SCHEMBL1462473 0.82 GSK3B (0.42) GSK3BKDM4EL3MBTL1ATMGSK3A

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 5 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 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 2342/4885KDM4E 3563/4885L3MBTL1 4736/4885

“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.