SCHEMBL337219

SCHEMBL337219

CC(=O)N1CCN(c2nc3c(N4CCOC[C@@H]4C)nc(-c4cnc(N)nc4)nc3n2CC(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.48
PIK3R1 P27986 11/20 0.48
PIK3CD O00329 3/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
MTOR P42345 2/20 0.48
RICTOR Q6R327 1/20 0.48
RPTOR Q8N122 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
HDAC1 Q13547 4/20 0.46
MAP3K12 Q12852 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL336267 0.93 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL12583537 0.93 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL27860191 0.93 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL336774 0.93 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL336714 0.91 PIK3CA (0.46) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL337225 0.89 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL336247 0.88 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL336264 0.88 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL336770 0.82 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL336947 0.82 PIK3CA (0.45) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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 18 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-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-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
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
WO-2010044401-A1 MORPHOLINOPURINE DERIVATIVE 第一三共株式会社 (JP) 2010-04-22 WO 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 3/4885PIK3CD 46/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885PIK3R1 3/4885PIK3CD 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.