SCHEMBL3084319

SCHEMBL3084319

O=C(O)c1cccc(Nc2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.50
PFKFB3 Q16875 1/20 0.49
POLB P06746 1/20 0.49
PIK3CG P48736 2/20 0.48
PIK3CA P42336 10/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PIK3C3 Q8NEB9 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 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
SCHEMBL3097046 0.87 PIK3CA (0.47) PIK3CBPIK3CGPIK3CAMEN1KMT2A
SCHEMBL3093453 0.85 PIK3CG (0.52) PIK3CBPOLBPIK3CGPIK3CAMEN1
SCHEMBL3084895 0.85 PDGFRB (0.53) PIK3CBPIK3CGPIK3CAMEN1KMT2A
SCHEMBL3095115 0.85 PIK3CG (0.60) PIK3CBPIK3CGPIK3CA
SCHEMBL3077839 0.81 PIK3CA (0.46) PIK3CBPIK3CGPIK3CAMEN1KMT2A
SCHEMBL3083379 0.79 LMNA (0.51) PIK3CBPIK3CGPIK3CAMEN1KMT2A
SCHEMBL3090548 0.79 PIK3CA (0.48) PIK3CBPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL3095066 0.79 PIK3CG (0.60) PIK3CBPIK3CGPIK3CA
SCHEMBL3077971 0.78 PIK3CA (0.48) PIK3CBPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL3084810 0.78 PIK3CG (0.58) PIK3CBPIK3CGPIK3CANPC1RAB9A

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 PIK3CB 2/4885PFKFB3 200/4885POLB 2496/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CB 2/4885PFKFB3 200/4885POLB 2496/4885

“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.