SCHEMBL336286

SCHEMBL336286

CC(C)Cn1cnc2c(N3CCOC[C@@H]3C)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.48
PIK3CD O00329 3/20 0.46
PIK3CA P42336 3/20 0.46
ATR Q13535 7/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CHEK1 O14757 3/20 0.38
ATM Q13315 1/20 0.38
CNR2 P34972 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 1/20 0.36

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
SCHEMBL799324 0.88 MTOR (0.57) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL25235943 0.88 MTOR (0.57) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1612230 0.88 MTOR (0.57) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL336421 0.85 MTOR (0.48) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL336242 0.84 MTOR (0.47) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL25080284 0.84 MTOR (0.50) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL25080274 0.84 MTOR (0.50) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1611443 0.82 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL1611445 0.82 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL2673181 0.82 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245607-B Morpholinopurine derivative DAIICHI SANKYO CO LTD 2014-07-02 CN disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
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-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-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
CN-102245607-A Morpholinopurine derivative DAIICHI SANKYO CO LTD 2011-11-16 CN 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
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 1/4885PIK3CD 46/4885PIK3CA 22/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 MTOR 1/4885PIK3CD 46/4885PIK3CA 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.