SCHEMBL336555

SCHEMBL336555

Nc1ncc(-c2nc(N3CCOCC3)c3nc(Cl)n(CC(F)(F)F)c3n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.58
MTOR P42345 9/20 0.58
PIK3CD O00329 5/20 0.58
PIK3CG P48736 4/20 0.52
PIK3CB P42338 4/20 0.52
RPTOR Q8N122 1/20 0.52
MLST8 Q9BVC4 1/20 0.52
PIK3R1 P27986 3/20 0.47
HDAC1 Q13547 2/20 0.47

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
SCHEMBL13674708 0.92 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL10263334 0.88 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
Bicarbonate SCHEMBL13674707 0.86 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL335785 0.84 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL336657 0.84 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL336275 0.84 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL799258 0.84 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL336707 0.83 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL336708 0.83 HDAC1 (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL16473517 0.82 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885PIK3CD 46/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885PIK3CD 46/4885

“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.