SCHEMBL3095616

SCHEMBL3095616

COc1cccc(Nc2cnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccccc5)c4)cc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.59
PIK3CG P48736 7/20 0.55
PI4KA P42356 7/20 0.53
PDGFRB P09619 2/20 0.52
PDGFRA P16234 2/20 0.52
PIK3CA P42336 5/20 0.49
MTOR P42345 2/20 0.49
ALPL P05186 1/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL3097416 0.91 PIK3CA (0.59) PIK3CDPIK3CGPDGFRBPDGFRAPIK3CA
SCHEMBL3084895 0.86 PDGFRB (0.53) PIK3CGPDGFRBPDGFRAPIK3CAMTOR
SCHEMBL3087098 0.79 PIK3CD (0.66) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL3097163 0.75 PI4KA (0.55) PIK3CDPIK3CGPI4KAPIK3CAMTOR
SCHEMBL3085452 0.75 PDGFRB (0.59) PIK3CGPDGFRBPDGFRAPIK3CAPIK3CB
SCHEMBL3097046 0.74 PIK3CA (0.47) PIK3CDPIK3CGPDGFRBPDGFRAPIK3CA
SCHEMBL13146472 0.74 PIK3CA (0.52) PIK3CDPIK3CGPI4KAPIK3CAMTOR
SCHEMBL14022758 0.74 PIK3CD (0.51) PIK3CDPIK3CGPI4KAPIK3CAMTOR
SCHEMBL3077839 0.72 PIK3CA (0.46) PIK3CDPIK3CGPDGFRBPDGFRAPIK3CA
SCHEMBL9952600 0.72 PI4KA (0.88) PIK3CDPIK3CGPI4KA

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 PIK3CD 6/4885PIK3CG 3/4885PI4KA 12/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CD 6/4885PIK3CG 3/4885PI4KA 12/4885

“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.