SCHEMBL3085564

SCHEMBL3085564

COc1ccc(C(=O)N2CCN(c3cnc4ccc(-c5cncc(NS(=O)(=O)c6ccccc6)c5)cc4n3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
ALOX15 P16050 4/20 0.56
USP2 O75604 2/20 0.56
MTOR P42345 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 1/20 0.48
AKT1 P31749 1/20 0.48
PIK3CA P42336 1/20 0.48
HTT P42858 6/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
GAA P10253 5/20 0.48
MAPK1 P28482 4/20 0.48
PKM P14618 3/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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 0.89 MAPT (0.54) LMNAALOX15USP2MTORPIK3CB
SCHEMBL3098002 0.87 PIK3CB (0.49) LMNAMTORPIK3CBPIK3CGAKT1
SCHEMBL3087828 0.85 ALDH1A1 (0.56) MTORPIK3CBPIK3CGAKT1PIK3CA
SCHEMBL3074245 0.85 PIK3CA (0.52) LMNAMTORPIK3CBPIK3CGAKT1
SCHEMBL3078390 0.84 CKS1B (0.51) MTORPIK3CBPIK3CGPIK3CA
SCHEMBL3087547 0.83 ALPL (0.47) LMNAUSP2MTORPIK3CBPIK3CG
SCHEMBL3091720 0.83 PIK3CG (0.50) MTORPIK3CBPIK3CGPIK3CA
SCHEMBL3079692 0.83 MCOLN2 (0.50) MTORPIK3CBPIK3CGPIK3CAALDH1A1
SCHEMBL3632905 0.83 PIK3CG (0.49) MTORPIK3CBPIK3CGPIK3CA
SCHEMBL3084494 0.82 PIK3CA (0.46) LMNAMTORPIK3CBPIK3CGAKT1

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 LMNA 4815/4885ALOX15 2065/4885USP2 4182/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG LMNA 4815/4885ALOX15 2065/4885USP2 4182/4885

“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.