SCHEMBL799171

SCHEMBL799171

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2nc(N3CCOCC3)c3ncn(C4CCCCO4)c3n2)c(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.39
FLT3 P36888 1/20 0.39
PIK3CA P42336 11/20 0.37
PIK3CG P48736 5/20 0.37
PIK3R1 P27986 3/20 0.36
RPTOR Q8N122 3/20 0.36
MLST8 Q9BVC4 3/20 0.36
RICTOR Q6R327 2/20 0.36
MAPKAP1 Q9BPZ7 2/20 0.36
HDAC1 Q13547 5/20 0.35
YTHDC1 Q96MU7 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3C2B O00750 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 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
SCHEMBL9605491 0.90 MTOR (0.45) MTORFLT3PIK3CAPIK3CGPIK3R1
SCHEMBL336325 0.85 MTOR (0.45) MTORFLT3PIK3CAPIK3CGPIK3R1
Bicarbonate SCHEMBL362971 0.83 FLT3 (0.39) MTORFLT3PIK3CAPIK3CGPIK3R1
SCHEMBL13674720 0.82 PIK3CA (0.47) MTORFLT3PIK3CAPIK3CGPIK3R1
Bicarbonate SCHEMBL13674719 0.82 FLT3 (0.41) MTORFLT3PIK3CAPIK3CGPIK3R1
SCHEMBL799593 0.76 PIK3CA (0.38) MTORPIK3CAPIK3CGPIK3R1RPTOR
SCHEMBL336324 0.76 PIK3CA (0.43) MTORFLT3PIK3CAPIK3CGPIK3R1
SCHEMBL777139 0.74 PIK3CA (0.49) MTORPIK3CAPIK3CG
SCHEMBL362972 0.74 FLT3 (0.40) MTORFLT3PIK3CAPIK3CGYTHDC1
SCHEMBL336322 0.74 PIK3CA (0.49) MTORPIK3CAPIK3CGPIK3R1PIK3CD

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 8 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-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 MTOR 1/4885FLT3 2698/4885PIK3CA 22/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 MTOR 1/4885FLT3 2698/4885PIK3CA 22/4885

“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.