SCHEMBL337225

SCHEMBL337225

CC(C)Cn1c(N2CCN(C=O)CC2)nc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.49
MTOR P42345 7/20 0.49
RICTOR Q6R327 5/20 0.49
RPTOR Q8N122 5/20 0.49
MAPKAP1 Q9BPZ7 5/20 0.49
MLST8 Q9BVC4 5/20 0.49
PIK3R1 P27986 4/20 0.49
PIK3CD O00329 3/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3C3 Q8NEB9 2/20 0.49
ATR Q13535 2/20 0.42
CHEK1 O14757 1/20 0.42
PDCD1 Q15116 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAP3K12 Q12852 6/20 0.42
HDAC1 Q13547 2/20 0.41

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
SCHEMBL337219 0.89 PIK3CA (0.48) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL336264 0.88 PIK3CA (0.51) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL336562 0.88 PIK3CA (0.54) PIK3CAMTORRPTORMLST8PIK3R1
SCHEMBL336267 0.87 PIK3CA (0.47) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL12583537 0.87 PIK3CA (0.47) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL336774 0.87 PIK3CA (0.49) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27860191 0.87 PIK3CA (0.49) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL336714 0.86 PIK3CA (0.46) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL336770 0.83 PIK3CA (0.55) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL337009 0.81 PIK3CA (0.51) PIK3CAMTORRPTORMLST8PIK3R1

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
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
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 PIK3CA 22/4885MTOR 1/4885RICTOR 2/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885RICTOR 2/4885

“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.