SCHEMBL799542

SCHEMBL799542

C=S(C)(=O)N1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4C(F)(F)F)nc3n2CC2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.46
PIK3CD O00329 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3R1 P27986 3/20 0.46
PIK3CG P48736 3/20 0.46
MTOR P42345 14/20 0.45
PIK3C2B O00750 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
AKT1 P31749 1/20 0.40

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
SCHEMBL337161 0.94 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL337167 0.84 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL337330 0.82 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL336411 0.82 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL799206 0.81 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL336652 0.80 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL336823 0.77 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL336812 0.77 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL336824 0.77 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL336582 0.77 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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 (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-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885PIK3CD 46/4885PIK3CB 102/4885

“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.