SCHEMBL3087547

SCHEMBL3087547

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PIK3CG P48736 5/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CA P42336 7/20 0.44
PIK3CD O00329 3/20 0.44
PIK3CB P42338 4/20 0.43
MTOR P42345 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
PRF1 P14222 1/20 0.43
CYP11B1 P15538 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
SCHEMBL3098002 0.93 PIK3CB (0.49) MAPTALDH1A1PIK3CGKDM4EHSD17B10
SCHEMBL3087828 0.91 ALDH1A1 (0.56) ALPLMAPTALDH1A1NPC1RAB9A
SCHEMBL3083848 0.88 HCRTR1 (0.49) ALPLALDH1A1PIK3CGKDM4EMEN1
SCHEMBL3079976 0.87 PIK3CA (0.47) PIK3CGMEN1KMT2APIK3CAPIK3CD
SCHEMBL3092036 0.87 MAPT (0.54) MAPTALDH1A1NPC1RAB9APIK3CG
SCHEMBL3090080 0.86 PIK3CG (0.48) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3092838 0.86 PIK3CA (0.44) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3095681 0.86 PIK3CG (0.47) PIK3CGMEN1KMT2APIK3CAPIK3CD
SCHEMBL3088318 0.86 PIK3CG (0.46) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3097974 0.86 PIK3CG (0.49) PIK3CGMEN1KMT2APIK3CAPIK3CD

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 11 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
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-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 ALPL 3010/4885MAPT 3879/4885ALDH1A1 2642/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG ALPL 3010/4885MAPT 3879/4885ALDH1A1 2642/4885

“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.