SCHEMBL799650

SCHEMBL799650

CNc1ncc(-c2nc(N3CCOCC3)c3nc(N4CCNCC4)n(CC4CC4)c3n2)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.43
MTOR P42345 8/20 0.43
MERTK Q12866 6/20 0.38
AXL P30530 4/20 0.38
TYRO3 Q06418 2/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CG P48736 2/20 0.36
AURKA O14965 2/20 0.36
RET P07949 2/20 0.36
KIT P10721 2/20 0.36
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
MET P08581 1/20 0.36
SOS1 Q07889 1/20 0.35

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
SCHEMBL799163 0.89 PIK3CA (0.56) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL799221 0.88 PIK3CA (0.44) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL799219 0.88 PIK3CA (0.43) PIK3CAMTORMERTKKDM4EALDH1A1
SCHEMBL336523 0.86 PIK3CA (0.46) PIK3CAMTORMERTKKDM4EALDH1A1
SCHEMBL337212 0.84 PIK3CA (0.46) PIK3CAMTORMERTKKDM4EALDH1A1
SCHEMBL336661 0.81 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL336987 0.80 PIK3CA (0.42) PIK3CAMTORMERTKKDM4EALDH1A1
SCHEMBL336986 0.80 PIK3CA (0.42) PIK3CAMTORMERTKKDM4EALDH1A1
SCHEMBL336026 0.80 PIK3CA (0.59) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL336601 0.78 PIK3CA (0.44) PIK3CAMTORKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 1/4885MERTK 1339/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885MERTK 1339/4885

“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.