SCHEMBL336670

SCHEMBL336670

CC(C)Cn1c(N2CCN(C(=O)[C@H](C)O)[C@H](C)C2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.48
HDAC1 Q13547 6/20 0.48
PIK3R1 P27986 4/20 0.48
MTOR P42345 9/20 0.48
PIK3CD O00329 7/20 0.48
PIK3CB P42338 6/20 0.48
PIK3CG P48736 6/20 0.48
PIK3C2A O00443 1/20 0.48
PIK3C2B O00750 1/20 0.48
STK10 O94804 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
FGR P09769 1/20 0.48
FER P16591 1/20 0.48
PRKCA P17252 1/20 0.48
JAK1 P23458 1/20 0.48
TEC P42680 1/20 0.48
SYK P43405 1/20 0.48
PRKDC P78527 1/20 0.48

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
SCHEMBL336370 1.00 PIK3CA (0.48) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336571 0.92 PIK3CA (0.49) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336474 0.92 PIK3CA (0.49) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336319 0.92 PIK3CA (0.48) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336763 0.92 PIK3CA (0.48) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336618 0.92 PIK3CA (0.48) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL337069 0.92 PIK3CA (0.48) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336476 0.91 PIK3CA (0.47) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336588 0.91 PIK3CA (0.47) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL336191 0.91 PIK3CA (0.47) PIK3CAHDAC1PIK3R1MTORPIK3CD

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 14 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
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 22/4885HDAC1 385/4885PIK3R1 3/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885HDAC1 385/4885PIK3R1 3/4885

“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.