SCHEMBL3079932

SCHEMBL3079932

COc1ccc(S(=O)(=O)N2CCC(Nc3cnc4ccc(-c5cncc(NS(=O)(=O)c6ccccc6)c5)cc4n3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 9/20 0.51
PIK3CB P42338 1/20 0.47
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
AKT1 P31749 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL3083650 0.88 PIK3CG (0.46) PIK3CBPIK3CAMTOR
SCHEMBL3079157 0.86 PIK3CG (0.47) PIK3CBPIK3CAMTOR
SCHEMBL3092440 0.86 PIK3CG (0.44) PIK3CBPIK3CAMTOR
SCHEMBL3098002 0.85 PIK3CB (0.49) PIK3CBAKT1PIK3CAMTORPKM
SCHEMBL14021841 0.84 PIK3CG (0.44) PIK3CBPIK3CAMTOR
SCHEMBL14021845 0.83 PIK3CG (0.46) PIK3CBPIK3CAMTOR
SCHEMBL3088186 0.81 PIK3CA (0.48) PIK3CBPIK3CAALDH1A1
SCHEMBL3083436 0.80 PIK3CB (0.48) PIK3CBAKT1PIK3CAMTORALDH1A1
SCHEMBL3087547 0.78 ALPL (0.47) PIK3CBAKT1PIK3CAMTORALDH1A1
SCHEMBL3074245 0.78 PIK3CA (0.52) PIK3CBAKT1PIK3CAMTORMAPT

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 CCR6 3801/4885PIK3CB 2/4885CCNA2 3427/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG CCR6 3801/4885PIK3CB 2/4885CCNA2 3427/4885

“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.