SCHEMBL2674658

SCHEMBL2674658

Cc1c(CN2CCN(C(C)(C)C(N)=O)CC2)sc2c(N3CCOCC3)nc(-c3nccc4c3ccn4S(=O)(=O)c3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.50
PIK3CD O00329 14/20 0.50
PIK3CB P42338 9/20 0.50
PIK3CG P48736 9/20 0.50
MTOR P42345 9/20 0.50
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
PARP1 P09874 6/20 0.47
PARP2 Q9UGN5 1/20 0.47
PIK3C2A O00443 1/20 0.46
PIK3C2B O00750 1/20 0.46
STK10 O94804 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
FGR P09769 1/20 0.46
FER P16591 1/20 0.46
PRKCA P17252 1/20 0.46
JAK1 P23458 1/20 0.46
TEC P42680 1/20 0.46

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
SCHEMBL2674411 0.86 PIK3CD (0.48) PIK3CAPIK3CDPIK3CB
SCHEMBL2674718 0.81 PIK3CD (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2673516 0.78 PIK3CD (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2675529 0.77 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2674252 0.76 PIK3CD (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL10276529 0.76 PIK3CD (0.40) PIK3CAPIK3CD
SCHEMBL1181644 0.74 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2465264 0.74 PIK3CD (0.62) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2112271 0.73 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2675963 0.73 PIK3CD (0.75) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CA 1/4885PIK3CD 3/4885PIK3CB 12/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CA 1/4885PIK3CD 3/4885PIK3CB 12/4885

“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.