SCHEMBL336947

SCHEMBL336947

CC(=O)N1CCN(c2nc3c(N4CCOC[C@@H]4C)nc(-c4cnc(N)nc4C)nc3n2CC2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.45
MTOR P42345 14/20 0.45
PIK3R1 P27986 8/20 0.41
RPTOR Q8N122 7/20 0.40
MLST8 Q9BVC4 7/20 0.40
RICTOR Q6R327 5/20 0.40
MAPKAP1 Q9BPZ7 5/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
MAP3K12 Q12852 2/20 0.38

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
SCHEMBL16473622 0.93 PIK3CA (0.39) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL337219 0.82 PIK3CA (0.48) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL13674712 0.81 PIK3CA (0.44) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL336430 0.81 PIK3CA (0.53) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL336494 0.79 PIK3CA (0.56) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL336026 0.79 PIK3CA (0.59) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL337167 0.79 PIK3CA (0.54) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL799163 0.78 PIK3CA (0.56) PIK3CAMTORPIK3R1RPTORMLST8
SCHEMBL336823 0.77 PIK3CA (0.55) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL336582 0.77 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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 17 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
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 22/4885MTOR 1/4885PIK3R1 3/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885PIK3R1 3/4885

“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.