SCHEMBL3087757

SCHEMBL3087757

CN(C)S(=O)(=O)c1cc(-c2ccc3ncc(NCCN4CCOCC4)nc3c2)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.56
PIK3CD O00329 3/20 0.56
PIK3CB P42338 3/20 0.56
PIK3CG P48736 3/20 0.56
MTOR P42345 1/20 0.56
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2D6 P10635 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ATR Q13535 1/20 0.43
ATM Q13315 1/20 0.42
KDR P35968 1/20 0.42
CLK4 Q9HAZ1 4/20 0.41
USP2 O75604 3/20 0.41

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
SCHEMBL3093528 0.82 PIK3C3 (0.45) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3095406 0.82 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL3087556 0.81 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12928436 0.76 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL3082879 0.74 HRH4 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL13146261 0.74 PIK3C3 (0.44) PIK3CAPIK3CDPIK3CBPIK3CGATM
SCHEMBL3116590 0.73 CYP3A4 (0.57) PIK3CAPIK3CGCYP1A2CYP3A4ALDH1A1
SCHEMBL14247895 0.72 PIK3CA (0.41) PIK3CAPIK3CDPIK3CGMTORHSD17B10
SCHEMBL1543967 0.72 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12928146 0.71 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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 PIK3CA 8/4885PIK3CD 6/4885PIK3CB 2/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CA 8/4885PIK3CD 6/4885PIK3CB 2/4885

“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.