SCHEMBL3083732

SCHEMBL3083732

C=C(/C=C\C)S(=O)(=O)Nc1cncc(-c2ccc3ncc(Nc4ccn(C)n4)nc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
PIK3CA P42336 3/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.35
AURKB Q96GD4 2/20 0.32
SYK P43405 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PRKD1 Q15139 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
YES1 P07947 1/20 0.31
EGFR P00533 1/20 0.31
AKT1 P31749 1/20 0.30
MTOR P42345 1/20 0.30
LRRK2 Q5S007 1/20 0.30
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL3083738 1.00 MAPK1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL3090548 0.81 PIK3CA (0.48) PIK3CANTRK1MTORPIK3CB
SCHEMBL3089191 0.70 PIK3CA (0.38) PIK3CAPIK3C3EGFRMTORATM
SCHEMBL3089187 0.70 PIK3CA (0.38) PIK3CAPIK3C3EGFRMTORATM
SCHEMBL3096709 0.67 PIK3CA (0.51) PIK3CANTRK1MTORPIK3CB
SCHEMBL13146347 0.67 PIK3CA (0.34) PIK3CAAURKBAKT1MTORPIK3CB
SCHEMBL3092199 0.66 FGFR3 (0.47) MAPK1AURKBKCNH2
SCHEMBL3091753 0.66 MAPK1 (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL3077971 0.65 PIK3CA (0.48) PIK3CANTRK1MTORPIK3CB
SCHEMBL3095115 0.64 PIK3CG (0.60) PIK3CAMTORPIK3CB

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 3 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-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

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 MAPK1 682/4885PIK3CA 8/4885MAPK8 1063/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG MAPK1 682/4885PIK3CA 8/4885MAPK8 1063/4885

“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.