SCHEMBL3085790

SCHEMBL3085790

O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.52
PIK3CA P42336 15/20 0.52
PIK3CB P42338 2/20 0.51
NTRK1 P04629 1/20 0.47
KIT P10721 1/20 0.47
MCL1 Q07820 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL3095066 0.90 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBNTRK1KIT
SCHEMBL3084810 0.89 PIK3CG (0.58) PIK3CGPIK3CAPIK3CB
SCHEMBL14021946 0.87 PIK3CA (0.42) PIK3CGPIK3CAMCL1FGFR1FGFR2
SCHEMBL3092643 0.86 PIK3CA (0.58) PIK3CGPIK3CAPIK3CB
SCHEMBL3088780 0.86 PIK3CA (0.58) PIK3CGPIK3CAPIK3CB
SCHEMBL3087449 0.84 PIK3CG (0.53) PIK3CGPIK3CAPIK3CB
SCHEMBL3094862 0.83 PIK3CG (0.52) PIK3CGPIK3CAPIK3CB
SCHEMBL3088346 0.82 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBNTRK1KIT
SCHEMBL3095115 0.81 PIK3CG (0.60) PIK3CGPIK3CAPIK3CB
SCHEMBL3094941 0.81 PIK3CA (0.50) PIK3CGPIK3CAPIK3CBMCL1FGFR1

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 9 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
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 PIK3CG 3/4885PIK3CA 8/4885PIK3CB 2/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CG 3/4885PIK3CA 8/4885PIK3CB 2/4885

“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.