SCHEMBL3083379

SCHEMBL3083379

O=C(Cc1ccccc1)Nc1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PIK3CG P48736 5/20 0.49
PIK3CB P42338 5/20 0.48
PIK3CA P42336 14/20 0.48
PIK3CD O00329 4/20 0.48
PIK3R1 P27986 1/20 0.44
MCL1 Q07820 1/20 0.43
AKT1 P31749 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL3093453 0.86 PIK3CG (0.52) LMNAMEN1KMT2APIK3CGPIK3CB
SCHEMBL3095115 0.85 PIK3CG (0.60) LMNAPIK3CGPIK3CBPIK3CAMTOR
SCHEMBL13146292 0.80 PIK3CG (0.51) PIK3CGPIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL3084319 0.79 PIK3CB (0.50) MEN1KMT2APIK3CGPIK3CBPIK3CA
SCHEMBL3095066 0.79 PIK3CG (0.60) PIK3CGPIK3CBPIK3CAMTOR
SCHEMBL3084810 0.78 PIK3CG (0.58) PIK3CGPIK3CBPIK3CAMTOR
SCHEMBL3090393 0.78 PIK3CB (0.51) PIK3CGPIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL3083385 0.77 MAPK1 (0.46) PIK3CGPIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL13146289 0.76 PIK3CA (0.47) PIK3CGPIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL3092643 0.76 PIK3CA (0.58) PIK3CGPIK3CBPIK3CAMTOR

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 LMNA 4815/4885KDM4E 3192/4885MEN1 1927/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG LMNA 4815/4885KDM4E 3192/4885MEN1 1927/4885

“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.