SCHEMBL3096852

SCHEMBL3096852

CC(C)C(=O)N1CCN(c2cnc3ccc(-c4cncc(S(N)(=O)=O)c4)cc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 6/20 0.49
MTOR P42345 6/20 0.49
PIK3CG P48736 6/20 0.49
PIK3CA P42336 5/20 0.44
PIK3CD O00329 4/20 0.44
MAP4K4 O95819 1/20 0.43
MAPT P10636 1/20 0.40
CDK6 Q00534 1/20 0.39
PRKDC P78527 2/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
TLR8 Q9NR97 1/20 0.36
RET P07949 1/20 0.36
SMO Q99835 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
SCHEMBL3079106 0.91 PIK3CB (0.58) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL3632949 0.87 PIK3CB (0.46) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL3097076 0.85 CKS1B (0.49) PIK3CBMTORPIK3CGPIK3CAMAP4K4
SCHEMBL3073238 0.84 PIK3CB (0.44) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL3078498 0.83 PIK3CA (0.53) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL3092858 0.83 TP53 (0.47) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL14021883 0.83 PIK3CB (0.43) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL3087863 0.82 PIK3CB (0.46) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL3083576 0.82 NPC1 (0.53) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL3089057 0.81 L3MBTL1 (0.58) PIK3CBMTORPIK3CGMAPTNPC1

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 PIK3CB 2/4885MTOR 92/4885PIK3CG 3/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CB 2/4885MTOR 92/4885PIK3CG 3/4885

“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.