SCHEMBL336774

SCHEMBL336774

CC(C)Cn1c(N2CCN(C(=O)[C@H](C)O)CC2)nc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.49
PIK3CD O00329 7/20 0.49
MTOR P42345 6/20 0.49
PIK3CB P42338 5/20 0.49
PIK3CG P48736 5/20 0.49
PIK3C3 Q8NEB9 2/20 0.49
PIK3C2A O00443 1/20 0.49
PIK3C2B O00750 1/20 0.49
STK10 O94804 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
FGR P09769 1/20 0.49
FER P16591 1/20 0.49
PRKCA P17252 1/20 0.49
JAK1 P23458 1/20 0.49
TEC P42680 1/20 0.49
SYK P43405 1/20 0.49
PRKDC P78527 1/20 0.49
MAP3K9 P80192 1/20 0.49

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
SCHEMBL27860191 1.00 PIK3CA (0.49) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL337219 0.93 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL336714 0.91 PIK3CA (0.46) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL12583537 0.91 PIK3CA (0.47) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL336267 0.91 PIK3CA (0.47) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL13383056 0.89 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL336279 0.89 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL12583545 0.89 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL337225 0.87 PIK3CA (0.49) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL336264 0.86 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245607-B Morpholinopurine derivative DAIICHI SANKYO CO LTD 2014-07-02 CN disclosed
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-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-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
CN-102245607-A Morpholinopurine derivative DAIICHI SANKYO CO LTD 2011-11-16 CN 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
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 22/4885PIK3CD 46/4885MTOR 1/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885PIK3CD 46/4885MTOR 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.