SCHEMBL366206

SCHEMBL366206

Cc1nc(NC(C)(C)C)nc(C(C)(C)C)c1-c1nc(N2CCOCC2)c2ncn(CC3CC3)c2n1.O=C(O)OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.43
PIK3CA P42336 5/20 0.43
PIK3CG P48736 4/20 0.43
CNR2 P34972 5/20 0.41
STAT3 P40763 1/20 0.41
HDAC1 Q13547 7/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39

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
SCHEMBL364150 0.87 PIK3CA (0.43) MTORPIK3CAPIK3CGCNR2STAT3
SCHEMBL363484 0.85 ALDH1A1 (0.36) MTORPIK3CAPIK3CGCNR2HDAC1
SCHEMBL363582 0.82 MTOR (0.41) MTORPIK3CAPIK3CGCNR2STAT3
SCHEMBL13674696 0.78 PIK3CA (0.51) MTORPIK3CAPIK3CGSTAT3HDAC1
SCHEMBL363672 0.76 MTOR (0.43) MTORPIK3CAPIK3CGCNR2STAT3
SCHEMBL366011 0.76 HDAC1 (0.43) MTORPIK3CAPIK3CGSTAT3HDAC1
SCHEMBL362972 0.76 FLT3 (0.40) MTORPIK3CAPIK3CGCNR2STAT3
SCHEMBL2877565 0.76 PIK3CA (0.60) MTORPIK3CAPIK3CGHDAC1PIK3R1
SCHEMBL370729 0.75 MTOR (0.37) MTORPIK3CAPIK3CD
SCHEMBL363975 0.74 PIK3CA (0.42) MTORPIK3CAPIK3CGCNR2HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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