SCHEMBL336635

SCHEMBL336635

CC(C)(C)OC(=O)N1CC[C@H](n2c(Cl)nc3c(N4CCOCC4)nc(-c4cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc4)nc32)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.48
MTOR P42345 5/20 0.48
PIK3CG P48736 5/20 0.48
ATR Q13535 2/20 0.48
AURKB Q96GD4 1/20 0.48
HDAC1 Q13547 4/20 0.43
PIK3R1 P27986 3/20 0.41
PIK3CD O00329 4/20 0.41
USP30 Q70CQ3 1/20 0.39
MAPK14 Q16539 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
GPR119 Q8TDV5 1/20 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
SCHEMBL776085 0.95 PIK3CA (0.43) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL773346 0.88 HDAC1 (0.43) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL336012 0.87 HDAC1 (0.41) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL336322 0.87 PIK3CA (0.49) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL336636 0.82 HDAC1 (0.41) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL777139 0.81 PIK3CA (0.49) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL799453 0.81 PIK3CA (0.44) PIK3CAMTORPIK3CGHDAC1PIK3R1
SCHEMBL1114151 0.81 MTOR (0.47) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL799240 0.79 HDAC1 (0.46) PIK3CAMTORPIK3CGHDAC1PIK3R1
SCHEMBL799472 0.79 PIK3CA (0.45) PIK3CAMTORPIK3CGHDAC1PIK3R1

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 10 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-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
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 22/4885MTOR 1/4885PIK3CG 87/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885PIK3CG 87/4885

“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.