SCHEMBL3090548

SCHEMBL3090548

Cn1ccc(Nc2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.48
PIK3CG P48736 2/20 0.48
PIK3CB P42338 4/20 0.48
MTOR P42345 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PRF1 P14222 1/20 0.41
NTRK1 P04629 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL3096709 0.86 PIK3CA (0.51) PIK3CAPIK3CGPIK3CBMTORCDK19
SCHEMBL3095115 0.85 PIK3CG (0.60) PIK3CAPIK3CGPIK3CBMTORCDK19
SCHEMBL3077971 0.83 PIK3CA (0.48) PIK3CAPIK3CGPIK3CBMTORCDK19
SCHEMBL3083732 0.81 MAPK1 (0.40) PIK3CAPIK3CBMTORNTRK1
SCHEMBL3083738 0.81 MAPK1 (0.40) PIK3CAPIK3CBMTORNTRK1
SCHEMBL3084895 0.80 PDGFRB (0.53) PIK3CAPIK3CGPIK3CBMTORNTRK1
SCHEMBL3083385 0.79 MAPK1 (0.46) PIK3CAPIK3CGPIK3CBMTORCDK19
SCHEMBL3079157 0.79 PIK3CG (0.47) PIK3CAPIK3CGPIK3CBMTORCDK19
SCHEMBL13146292 0.79 PIK3CG (0.51) PIK3CAPIK3CGPIK3CBMTORCDK19
SCHEMBL3084319 0.79 PIK3CB (0.50) PIK3CAPIK3CGPIK3CBPIK3CDPIK3R1

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 7 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-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
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 PIK3CA 8/4885PIK3CG 3/4885PIK3CB 2/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CA 8/4885PIK3CG 3/4885PIK3CB 2/4885

“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.