SCHEMBL363484

SCHEMBL363484

Cc1nc(NC(C)(C)C)nc(C(C)(C)C)c1-c1nc(N2CCOCC2)c2nc(Cl)n(CC3CC3)c2n1.O=C(O)OC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MTOR P42345 5/20 0.34
PIK3CA P42336 5/20 0.34
PIK3CD O00329 2/20 0.34
CNR2 P34972 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 2/20 0.31
HDAC1 Q13547 5/20 0.31
PDE10A Q9Y233 1/20 0.30
MAPT P10636 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CG P48736 2/20 0.30

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
SCHEMBL370729 0.89 MTOR (0.37) MTORPIK3CAPIK3CD
SCHEMBL363975 0.86 PIK3CA (0.42) ALDH1A1KDM4EHPGDHSD17B10MTOR
SCHEMBL366206 0.85 MTOR (0.43) MTORPIK3CAPIK3CDCNR2HDAC1
SCHEMBL363864 0.81 PIK3CA (0.40) ALDH1A1KDM4EHPGDHSD17B10MTOR
SCHEMBL13674729 0.76 PIK3CA (0.56) ALDH1A1KDM4EHPGDHSD17B10MTOR
SCHEMBL363718 0.76 PIK3CA (0.42) MTORPIK3CAPIK3CDHDAC1PIK3R1
SCHEMBL366555 0.75 PIK3CA (0.42) MTORPIK3CAPIK3CDHDAC1PIK3R1
SCHEMBL2873223 0.74 PIK3CA (0.51) MTORPIK3CAPIK3CDHDAC1PIK3R1
SCHEMBL364150 0.73 PIK3CA (0.43) MTORPIK3CAPIK3CDCNR2HDAC1
SCHEMBL364128 0.71 MAPK1 (0.36) ALDH1A1MTORPIK3CDMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ALDH1A1 2409/4885KDM4E 772/4885HPGD 4196/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 ALDH1A1 2409/4885KDM4E 772/4885HPGD 4196/4885

“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.