SCHEMBL799625

SCHEMBL799625

Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc1-c1nc(N2CCOC[C@@H]2C)c2ncn(CC3CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.44
MTOR P42345 14/20 0.44
PIK3CD O00329 5/20 0.44
PIK3R1 P27986 7/20 0.36
ATR Q13535 1/20 0.36
RPTOR Q8N122 6/20 0.36
MLST8 Q9BVC4 6/20 0.36
RICTOR Q6R327 4/20 0.36
MAPKAP1 Q9BPZ7 4/20 0.36
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL799244 0.90 MTOR (0.47) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL799608 0.87 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL27860348 0.83 MTOR (0.43) PIK3CAMTORPIK3CDPIK3R1ATR
SCHEMBL799327 0.82 MTOR (0.52) PIK3CAMTORPIK3CDPIK3R1ATR
SCHEMBL799510 0.81 MTOR (0.52) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL799241 0.79 MTOR (0.49) PIK3CAMTORPIK3CDPIK3R1PIK3CB
Isobutane SCHEMBL27860349 0.78 MTOR (0.47) PIK3CAMTORPIK3CDPIK3R1ATR
SCHEMBL799161 0.77 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL799279 0.76 MTOR (0.52) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL1114353 0.76 MTOR (0.48) PIK3CAMTORPIK3CDPIK3R1ATR

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 7 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-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
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 1/4885PIK3CD 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.