SCHEMBL3095101

SCHEMBL3095101

O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cccs4)nc3c2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.54
PIK3CB P42338 3/20 0.51
PIK3CA P42336 12/20 0.49
JAK2 O60674 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
MAPK10 P53779 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MTOR P42345 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
CNR1 P21554 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PRF1 P14222 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
SCHEMBL3088346 0.89 PIK3CG (0.55) PIK3CGPIK3CBPIK3CAMTORCDK19
SCHEMBL3095066 0.88 PIK3CG (0.60) PIK3CGPIK3CBPIK3CAMTORCDK19
SCHEMBL3084810 0.87 PIK3CG (0.58) PIK3CGPIK3CBPIK3CAJAK2NPC1
SCHEMBL3088780 0.86 PIK3CA (0.58) PIK3CGPIK3CBPIK3CAMTORCDK19
SCHEMBL3092643 0.84 PIK3CA (0.58) PIK3CGPIK3CBPIK3CAJAK2NPC1
SCHEMBL3087449 0.82 PIK3CG (0.53) PIK3CGPIK3CBPIK3CAMTORCDK19
SCHEMBL3095115 0.81 PIK3CG (0.60) PIK3CGPIK3CBPIK3CAMTORCDK19
SCHEMBL3094862 0.81 PIK3CG (0.52) PIK3CGPIK3CBPIK3CAMTORCDK19
SCHEMBL3085790 0.81 PIK3CG (0.52) PIK3CGPIK3CBPIK3CA
SCHEMBL3086326 0.81 PIK3CG (0.52) PIK3CGPIK3CBPIK3CANPC1RAB9A

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 6 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

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

“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.