SCHEMBL2280427

SCHEMBL2280427

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(CCC(=O)NC(=O)C3CNC3)c2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.53
PIK3CG P48736 12/20 0.51
PIK3CA P42336 3/20 0.51
PIK3CB P42338 2/20 0.51
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.46
RPTOR Q8N122 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.44
PIK3C2B O00750 1/20 0.42
PIK3C2G O75747 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
SCHEMBL3803471 0.90 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL3143741 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL189191 0.84 PIK3CG (0.58) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL4540214 0.82 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL4346342 0.82 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL4342095 0.82 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL188698 0.81 PIK3CG (0.60) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL27737273 0.80 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL4459861 0.80 PIK3CG (0.53) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL12373147 0.80 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAPIK3CBMTOR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO claimed
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 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 (1 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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CD 4/4885PIK3CG 3/4885PIK3CA 1/4885

“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.