SCHEMBL3084895

SCHEMBL3084895

COc1cccc(Nc2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
ALPL P05186 2/20 0.53
PIK3CB P42338 3/20 0.50
PIK3CG P48736 1/20 0.48
GAA P10253 1/20 0.47
PIK3CA P42336 4/20 0.47
AKT1 P31749 1/20 0.47
MTOR P42345 1/20 0.47
TNNI3K Q59H18 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NTRK1 P04629 1/20 0.46
KIT P10721 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL3097046 0.88 PIK3CA (0.47) PDGFRBPDGFRAALPLPIK3CBPIK3CG
SCHEMBL3095616 0.86 PIK3CD (0.59) PDGFRBPDGFRAALPLPIK3CBPIK3CG
SCHEMBL3097416 0.85 PIK3CA (0.59) PDGFRBPDGFRAPIK3CBPIK3CGPIK3CA
SCHEMBL3084319 0.85 PIK3CB (0.50) PIK3CBPIK3CGPIK3CAMEN1KMT2A
SCHEMBL3095115 0.84 PIK3CG (0.60) PIK3CBPIK3CGPIK3CAMTOR
SCHEMBL3077839 0.83 PIK3CA (0.46) PDGFRBPDGFRAALPLPIK3CBPIK3CG
SCHEMBL3087828 0.81 ALDH1A1 (0.56) ALPLPIK3CBPIK3CGPIK3CAAKT1
SCHEMBL3090548 0.80 PIK3CA (0.48) PIK3CBPIK3CGPIK3CAMTORNTRK1
SCHEMBL3077971 0.79 PIK3CA (0.48) PIK3CBPIK3CGPIK3CAMTORNTRK1
SCHEMBL3087547 0.79 ALPL (0.47) ALPLPIK3CBPIK3CGPIK3CAAKT1

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 PDGFRB 85/4885PDGFRA 159/4885ALPL 3010/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PDGFRB 85/4885PDGFRA 159/4885ALPL 3010/4885

“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.