SCHEMBL3087863

SCHEMBL3087863

NS(=O)(=O)c1cncc(-c2ccc3ncc(N4CCC(O)CC4)nc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 9/20 0.46
MTOR P42345 7/20 0.46
PRKDC P78527 3/20 0.46
ATR Q13535 2/20 0.46
ATRIP Q8WXE1 2/20 0.46
PIK3CA P42336 10/20 0.44
PIK3CG P48736 8/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIK3CD O00329 6/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
HCAR2 Q8TDS4 1/20 0.36
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PTPN11 Q06124 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL3078498 0.87 PIK3CA (0.53) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3079648 0.85 PIK3CB (0.54) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3091949 0.85 PIK3CB (0.54) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3079106 0.85 PIK3CB (0.58) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3073238 0.84 PIK3CB (0.44) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3083576 0.84 NPC1 (0.53) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3097160 0.83 PIK3CB (0.42) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3096852 0.82 PIK3CB (0.49) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3092858 0.81 TP53 (0.47) PIK3CBMTORPRKDCATRATRIP
SCHEMBL3074227 0.81 PIK3CB (0.45) PIK3CBMTORPRKDCATRATRIP

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 2/4885MTOR 92/4885PRKDC 195/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CB 2/4885MTOR 92/4885PRKDC 195/4885

“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.