SCHEMBL3087828

SCHEMBL3087828

COc1cccc(N2CCN(c3cnc4ccc(-c5cncc(NS(=O)(=O)c6ccccc6)c5)cc4n3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
ALPL P05186 1/20 0.47
RIPK2 O43353 1/20 0.46
ACVR1 Q04771 1/20 0.46
NOD2 Q9HC29 1/20 0.46
PIK3CA P42336 8/20 0.45
PIK3CB P42338 6/20 0.45
PIK3CG P48736 5/20 0.45
MTOR P42345 5/20 0.45
PIK3CD O00329 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AKT1 P31749 1/20 0.44
PRF1 P14222 1/20 0.43
HPGD P15428 1/20 0.43
PRKDC P78527 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
NTRK1 P04629 1/20 0.43

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
SCHEMBL3092036 0.93 MAPT (0.54) ALDH1A1NPC1MAPTRAB9ARIPK2
SCHEMBL3087547 0.91 ALPL (0.47) ALDH1A1NPC1MAPTRAB9AALPL
SCHEMBL3098002 0.87 PIK3CB (0.49) ALDH1A1MAPTPIK3CAPIK3CBPIK3CG
SCHEMBL3091720 0.86 PIK3CG (0.50) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL3079692 0.86 MCOLN2 (0.50) ALDH1A1MAPTPIK3CAPIK3CBPIK3CG
SCHEMBL3088716 0.86 PIK3CA (0.45) ALDH1A1NPC1MAPTRAB9AALPL
SCHEMBL3085564 0.85 LMNA (0.56) ALDH1A1MAPTPIK3CAPIK3CBPIK3CG
SCHEMBL3074245 0.85 PIK3CA (0.52) MAPTALPLRIPK2ACVR1NOD2
SCHEMBL3090080 0.85 PIK3CG (0.48) PIK3CAPIK3CBPIK3CGMTORPIK3CD
SCHEMBL14022761 0.83 PIK3CA (0.46) RIPK2ACVR1NOD2PIK3CAPIK3CB

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 ALDH1A1 2642/4885NPC1 4578/4885MAPT 3879/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG ALDH1A1 2642/4885NPC1 4578/4885MAPT 3879/4885

“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.