SCHEMBL3072252

SCHEMBL3072252

NC(=O)C1CCN(c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.48
PIK3CB P42338 6/20 0.47
PIK3CA P42336 12/20 0.46
MTOR P42345 4/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PIK3CD O00329 4/20 0.44
PRKDC P78527 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
PIK3R1 P27986 1/20 0.43

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
SCHEMBL3084019 0.90 PIK3CA (0.47) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL3092090 0.90 PIK3CA (0.47) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL3095390 0.88 RXFP1 (0.48) PIK3CGPIK3CBPIK3CAMTORMAPT
SCHEMBL13146530 0.88 PIK3CG (0.49) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL3089235 0.87 HCAR2 (0.44) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL14022669 0.87 PIK3CG (0.51) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL3080014 0.86 PIK3CG (0.48) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL3091948 0.86 PIK3CA (0.49) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL3088511 0.85 PIK3CA (0.48) PIK3CGPIK3CBPIK3CAMTORPIK3CD
SCHEMBL3093319 0.85 PIK3CA (0.48) PIK3CGPIK3CBPIK3CAMTORPIK3CD

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 5 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
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-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 2/4885PIK3CA 8/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CG 3/4885PIK3CB 2/4885PIK3CA 8/4885

“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.