SCHEMBL3083499

SCHEMBL3083499

COc1ncc(-c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc1NS(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.58
FGFR3 P22607 5/20 0.53
KDR P35968 5/20 0.53
FGFR1 P11362 4/20 0.53
FGFR4 P22455 3/20 0.53
PIK3CA P42336 5/20 0.53
PIK3CG P48736 4/20 0.53
PIK3CB P42338 3/20 0.53
FGFR2 P21802 2/20 0.50
PI4KA P42356 1/20 0.50
EGFR P00533 1/20 0.49

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
SCHEMBL3087772 0.91 PIK3CA (0.58) PIK3CDFGFR3KDRFGFR1FGFR4
SCHEMBL3097163 0.88 PI4KA (0.55) PIK3CDFGFR3KDRFGFR1FGFR4
SCHEMBL3086327 0.85 PIK3CG (0.60) PIK3CDPIK3CAPIK3CGPIK3CBPI4KA
SCHEMBL3078306 0.85 FGFR3 (0.46) PIK3CDFGFR3KDRFGFR1FGFR4
SCHEMBL3086154 0.81 FGFR3 (0.53) FGFR3KDRFGFR1FGFR4PIK3CA
SCHEMBL3095495 0.79 FGFR3 (0.51) FGFR3KDRFGFR1FGFR4PIK3CA
SCHEMBL3095294 0.78 FGFR3 (0.55) PIK3CDFGFR3KDRFGFR1FGFR4
SCHEMBL3079721 0.75 PIK3CA (0.60) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3090021 0.74 PIK3CB (0.54) FGFR3KDRFGFR1FGFR4PIK3CA
SCHEMBL3091202 0.74 FGFR3 (0.52) FGFR3KDRFGFR1FGFR4FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 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 (2 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CD 6/4885FGFR3 2690/4885KDR 1697/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CD 6/4885FGFR3 2690/4885KDR 1697/4885

“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.