SCHEMBL799566

SCHEMBL799566

Nc1ncc(-c2nc(N3CCOCC3)c3nc(Cl)n([C@H]4CCNC4)c3n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.54
MTOR P42345 9/20 0.50
PIK3CD O00329 4/20 0.50
PIK3CB P42338 3/20 0.50
PIK3R1 P27986 2/20 0.50
PIK3CG P48736 3/20 0.49
RPTOR Q8N122 3/20 0.49
MLST8 Q9BVC4 3/20 0.49
HDAC1 Q13547 1/20 0.47
RICTOR Q6R327 2/20 0.46
MAPKAP1 Q9BPZ7 2/20 0.46
MAP3K12 Q12852 1/20 0.45

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
SCHEMBL13382895 0.80 PIK3CA (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL335833 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL335785 0.77 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL1113697 0.75 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL336882 0.74 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL336555 0.73 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL336657 0.73 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL1114084 0.73 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL336661 0.72 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3R1
SCHEMBL2873223 0.71 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3R1

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 8 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-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
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885PIK3CD 46/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885PIK3CD 46/4885

“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.