SCHEMBL3094883

SCHEMBL3094883

CC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.85
PIK3CB P42338 10/20 0.85
MTOR P42345 5/20 0.85
PIK3CD O00329 13/20 0.66
PIK3CA P42336 12/20 0.66
PRKDC P78527 1/20 0.64
PIK3C3 Q8NEB9 1/20 0.64
AKT1 P31749 1/20 0.55

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
SCHEMBL1543789 0.92 MTOR (1.00) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3084297 0.90 PIK3CA (0.70) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3085931 0.89 PIK3CG (0.68) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3082086 0.89 PIK3CD (0.71) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3091501 0.89 PIK3CG (0.68) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3072056 0.88 PIK3CD (0.68) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3633883 0.88 PIK3CB (0.67) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3091645 0.86 PIK3CD (0.84) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3092697 0.86 PIK3CA (0.70) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3092416 0.85 PIK3CA (0.64) PIK3CGPIK3CBMTORPIK3CDPIK3CA

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 2/4885MTOR 92/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CG 3/4885PIK3CB 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.