SCHEMBL3074245

SCHEMBL3074245

COc1ccc(OC2CCN(c3cnc4ccc(-c5cncc(NS(=O)(=O)c6ccccc6)c5)cc4n3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.52
PIK3CB P42338 6/20 0.47
MTOR P42345 5/20 0.46
AKT1 P31749 1/20 0.46
PIK3CG P48736 5/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PIK3CD O00329 3/20 0.42
PRKDC P78527 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
ALPL P05186 1/20 0.41
NTRK1 P04629 1/20 0.41
KIT P10721 1/20 0.41
RIPK2 O43353 1/20 0.41
ACVR1 Q04771 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL3092036 0.89 MAPT (0.54) PIK3CAPIK3CBMTORAKT1PIK3CG
SCHEMBL3084494 0.88 PIK3CA (0.46) PIK3CAPIK3CBMTORAKT1PIK3CG
SCHEMBL3098002 0.87 PIK3CB (0.49) PIK3CAPIK3CBMTORAKT1PIK3CG
SCHEMBL3087828 0.85 ALDH1A1 (0.56) PIK3CAPIK3CBMTORAKT1PIK3CG
SCHEMBL3085564 0.85 LMNA (0.56) PIK3CAPIK3CBMTORAKT1PIK3CG
SCHEMBL3091948 0.84 PIK3CA (0.49) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL3088716 0.84 PIK3CA (0.45) PIK3CAPIK3CBMTORAKT1PIK3CG
SCHEMBL3088511 0.83 PIK3CA (0.48) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL3087547 0.83 ALPL (0.47) PIK3CAPIK3CBMTORAKT1PIK3CG
SCHEMBL13146530 0.83 PIK3CG (0.49) PIK3CAPIK3CBMTORPIK3CGPIK3CD

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 12 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
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-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
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 PIK3CA 8/4885PIK3CB 2/4885MTOR 92/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CA 8/4885PIK3CB 2/4885MTOR 92/4885

“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.