SCHEMBL3095406

SCHEMBL3095406

COCCNc1cnc2ccc(-c3cnc(N)c(S(=O)(=O)N(C)C)c3)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.53
PIK3C3 Q8NEB9 2/20 0.39
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 5/20 0.37
AURKB Q96GD4 4/20 0.37
YES1 P07947 3/20 0.37
HIPK1 Q86Z02 1/20 0.37
SYK P43405 1/20 0.36
GAK O14976 1/20 0.36
ABL1 P00519 1/20 0.36
PIM1 P11309 1/20 0.36
NTRK1 P04629 1/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL3093528 0.87 PIK3C3 (0.45) PIK3CAPIK3C3KCNH2MAPK1AURKB
SCHEMBL3087757 0.82 PIK3CA (0.56) PIK3CASYKATMUSP2ALDH1A1
SCHEMBL14021875 0.79 PIK3CA (0.49) PIK3CAMAPK1AURKBYES1HIPK1
SCHEMBL13146261 0.78 PIK3C3 (0.44) PIK3CAPIK3C3KCNH2MAPK1AURKB
SCHEMBL3113694 0.77 PIK3CA (0.43) PIK3CAMAPK1USP2ALDH1A1CYP1A2
SCHEMBL3091272 0.75 ATM (0.44) PIK3CAPIK3C3ATM
SCHEMBL3085561 0.74 MAP4K4 (0.40) PIK3CAPIK3C3KCNH2ATMCYP3A4
SCHEMBL3074529 0.74 PIK3CA (0.47) PIK3CAPIK3C3KCNH2
SCHEMBL3097264 0.74 PIK3CA (0.42) PIK3CAPIK3C3KCNH2ATM
SCHEMBL3082879 0.71 HRH4 (0.46) PIK3CAPIK3C3PIK3CDPIK3CBMTOR

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 9 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

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 8/4885PIK3C3 28/4885KCNH2 864/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CA 8/4885PIK3C3 28/4885KCNH2 864/4885

“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.