SCHEMBL3074529

SCHEMBL3074529

CN(C)S(=O)(=O)c1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.47
AKT1 P31749 1/20 0.47
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
HPGD P15428 1/20 0.39
PIK3C3 Q8NEB9 7/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
ATR Q13535 2/20 0.38
APP P05067 3/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL13146261 0.83 PIK3C3 (0.44) PIK3CAAKT1ALOX5APFEN1PIK3C3
SCHEMBL3114069 0.79 PIK3CA (0.52) PIK3CAAKT1ALOX5APFEN1PIK3C3
SCHEMBL731357 0.79 PIK3CA (0.77) PIK3CAAKT1PIK3C3
SCHEMBL729441 0.78 PIK3CA (0.58) PIK3CAAKT1ALOX5APFEN1PIK3C3
SCHEMBL3105712 0.78 PIK3CA (0.54) PIK3CAAKT1PIK3C3
SCHEMBL3093528 0.78 PIK3C3 (0.45) PIK3CAPIK3C3KCNH2
SCHEMBL3091272 0.77 ATM (0.44) PIK3CAPIK3C3
SCHEMBL3108650 0.77 PIK3C3 (0.44) PIK3CAAKT1ALOX5APFEN1PIK3C3
SCHEMBL13146305 0.77 PIK3CA (0.43) PIK3CAAKT1HPGDFGFR1FGFR2
SCHEMBL3097264 0.76 PIK3CA (0.42) PIK3CAAKT1PIK3C3FGFR1FGFR2

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 5 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
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-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 8/4885AKT1 55/4885ALOX5AP 1668/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CA 8/4885AKT1 55/4885ALOX5AP 1668/4885

“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.