SCHEMBL3097990

SCHEMBL3097990

O=C1CNCCN1c1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.48
PIK3CB P42338 4/20 0.48
PIK3CD O00329 2/20 0.48
MTOR P42345 2/20 0.48
PIK3CA P42336 15/20 0.46
PRKDC P78527 1/20 0.41
PIK3C3 Q8NEB9 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
SCHEMBL3097300 0.87 PIK3CG (0.60) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3091985 0.83 PIK3CG (0.47) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3080010 0.81 PIK3CG (0.50) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3091720 0.80 PIK3CG (0.50) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3094919 0.80 PIK3CG (0.50) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3072279 0.80 PIK3CA (0.61) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3080012 0.79 PIK3CG (0.49) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3095066 0.79 PIK3CG (0.60) PIK3CGPIK3CBMTORPIK3CA
SCHEMBL3087904 0.78 PIK3CG (0.42) PIK3CGPIK3CBPIK3CDMTORPIK3CA
SCHEMBL3083436 0.78 PIK3CB (0.48) PIK3CGPIK3CBMTORPIK3CARIPK2

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 10 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
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

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 3/4885PIK3CB 2/4885PIK3CD 6/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CG 3/4885PIK3CB 2/4885PIK3CD 6/4885

“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.