SCHEMBL336600

SCHEMBL336600

CC1CN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2[C@H]2CCN(S(C)(=O)=O)C2)CC(C)N1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.49
PIK3R1 P27986 10/20 0.49
PIK3CB P42338 6/20 0.49
PIK3CD O00329 5/20 0.49
HDAC1 Q13547 1/20 0.49
MTOR P42345 5/20 0.46
PIK3CG P48736 4/20 0.46
RPTOR Q8N122 2/20 0.46
MLST8 Q9BVC4 2/20 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
SCHEMBL336599 1.00 PIK3CA (0.49) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL336228 0.91 PIK3CA (0.52) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL805052 0.86 PIK3CA (0.54) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL335833 0.86 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL336293 0.78 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL336292 0.78 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL336551 0.78 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL336552 0.78 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL13382971 0.76 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1
SCHEMBL336589 0.76 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDHDAC1

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
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP 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-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP 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 22/4885PIK3R1 3/4885PIK3CB 102/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885PIK3R1 3/4885PIK3CB 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.