SCHEMBL336476

SCHEMBL336476

C[C@H](O)C(=O)N1CCN(c2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3n2CC2CC2)C[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.47
MTOR P42345 8/20 0.47
PIK3CD O00329 7/20 0.47
PIK3R1 P27986 6/20 0.46
HDAC1 Q13547 5/20 0.46
PIK3CB P42338 6/20 0.45
PIK3CG P48736 6/20 0.45
PIK3C2A O00443 1/20 0.45
PIK3C2B O00750 1/20 0.45
STK10 O94804 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
FGR P09769 1/20 0.45
FER P16591 1/20 0.45
PRKCA P17252 1/20 0.45
JAK1 P23458 1/20 0.45
TEC P42680 1/20 0.45
SYK P43405 1/20 0.45
PRKDC P78527 1/20 0.45

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
SCHEMBL336588 1.00 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL336191 1.00 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL336572 1.00 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL336370 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL336670 0.91 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL337380 0.91 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL337449 0.91 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL13382782 0.90 PIK3CA (0.49) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL337194 0.89 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3R1HDAC1
SCHEMBL336643 0.89 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3R1HDAC1

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 15 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
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.