SCHEMBL3093528

SCHEMBL3093528

CCNc1cnc2ccc(-c3cnc(N)c(S(=O)(=O)N(C)C)c3)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 10/20 0.45
PIK3CA P42336 6/20 0.41
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPK1 P28482 2/20 0.40
AURKB Q96GD4 2/20 0.40
YES1 P07947 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
ABL1 P00519 1/20 0.39
PIM1 P11309 1/20 0.39
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3095406 0.87 PIK3CA (0.53) PIK3C3PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL13146261 0.82 PIK3C3 (0.44) PIK3C3PIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL3087757 0.82 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3091272 0.78 ATM (0.44) PIK3C3PIK3CA
SCHEMBL3074529 0.78 PIK3CA (0.47) PIK3C3PIK3CAKCNH2
SCHEMBL3097264 0.78 PIK3CA (0.42) PIK3C3PIK3CAKCNH2
SCHEMBL3082879 0.77 HRH4 (0.46) PIK3C3PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3085561 0.76 MAP4K4 (0.40) PIK3C3PIK3CAPI4KAPIK3CGKCNH2
SCHEMBL3087556 0.76 PIK3CA (0.51) PIK3C3PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3082627 0.72 KCNH2 (0.41) PIK3C3PIK3CAPIK3CDPIP5K1CPIK3CB

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 PIK3C3 28/4885PIK3CA 8/4885PIK3CD 6/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3C3 28/4885PIK3CA 8/4885PIK3CD 6/4885

“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.