SCHEMBL3117652

SCHEMBL3117652

COc1ncc(Br)cc1NS(=O)(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.44
PI4KA P42356 1/20 0.44
PIK3CD O00329 12/20 0.39
PIK3CA P42336 6/20 0.38
PIK3CB P42338 5/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
S100A9 P06702 2/20 0.37
SHMT2 P34897 1/20 0.36
CCR4 P51679 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
SCHEMBL791104 0.85 MAPT (0.48) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL28532759 0.85 AAK1 (0.34) PIK3CGPI4KAPIK3CDMEN1POLB
SCHEMBL29556703 0.83 PIK3CD (0.52) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL114826 0.83 PIK3CD (0.52) PIK3CGPIK3CDPIK3CAPIK3CB
Ammonia Solution, Strong SCHEMBL28553362 0.82 PIK3CD (0.51) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL17969358 0.81 HPGD (0.44) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL21513802 0.80 PRKDC (0.38) PIK3CGPI4KAPIK3CDMEN1KMT2A
SCHEMBL29629172 0.80 PRKDC (0.38) PIK3CGPI4KAPIK3CDMEN1KMT2A
SCHEMBL15652790 0.80 PIK3CG (0.42) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL16913931 0.79 PIK3C3 (0.52) PIK3CGPIK3CDPIK3CAPIK3CBMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2167092-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PIK3CG 21/4885PI4KA 2/4885PIK3CD 14/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PIK3CG 21/4885PI4KA 2/4885PIK3CD 14/4885

“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.