SCHEMBL336145

SCHEMBL336145

CC(C)(C)C1[C@@H](n2cnc3c(N4CCOCC4)nc(Cl)nc32)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 5/20 0.45
PIK3CA P42336 7/20 0.39
MTOR P42345 7/20 0.39
PIK3CG P48736 7/20 0.39
ADORA3 P0DMS8 4/20 0.39
HDAC1 Q13547 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
STAT3 P40763 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL337033 0.84 LMNA (0.39) ADORA3TDP1
SCHEMBL336323 0.79 PIK3CA (0.42) PIK3CAMTORPIK3CGHDAC1
SCHEMBL4556426 0.77 PIK3CA (0.52) NT5EPIK3CAMTORPIK3CGADORA3
SCHEMBL775864 0.76 PIK3CA (0.49) NT5EPIK3CAMTORPIK3CGADORA3
SCHEMBL25237682 0.75 NT5E (0.52) NT5EPIK3CAMTORPIK3CG
SCHEMBL18114702 0.75 NT5E (0.47) NT5EPIK3CAMTORHDAC1TDP1
SCHEMBL27781912 0.75 NT5E (0.47) NT5EPIK3CAMTORPIK3CGTDP1
SCHEMBL4446284 0.74 PIK3CA (0.49) NT5EPIK3CAMTORPIK3CG
Trifluoroacetic Acid SCHEMBL4448005 0.73 PIK3CA (0.55) NT5EPIK3CAMTORPIK3CGADORA3
SCHEMBL336144 0.73 PIK3CA (0.46) NT5EPIK3CAMTORPIK3CGCNR2

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 NT5E 2497/4885PIK3CA 22/4885MTOR 1/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 NT5E 2497/4885PIK3CA 22/4885MTOR 1/4885

“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.