SCHEMBL1318385

SCHEMBL1318385

NC(=O)c1ccc2cncc(N3CCC(OCCOC4CCOCC4)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.42
POLB P06746 2/20 0.36
CTPS1 P17812 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
CYP11B2 P19099 1/20 0.36
CHEK2 O96017 2/20 0.36
PLK1 P53350 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAP4K4 O95819 1/20 0.34
PDE4D Q08499 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SCN9A Q15858 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL1320572 0.93 CDK8 (0.45) CDK8POLBCTPS1MAPTTP53
SCHEMBL12115054 0.93 CDK8 (0.40) CDK8POLBCTPS1MAPTTP53
SCHEMBL12115074 0.90 CDK8 (0.41) CDK8POLBCTPS1MAPTTP53
SCHEMBL1318684 0.89 CDK8 (0.44) CDK8POLBCTPS1MAPTTP53
SCHEMBL12115120 0.88 CDK8 (0.38) CDK8POLBMAPTCHEK2ALDH1A1
SCHEMBL12115089 0.87 CDK8 (0.41) CDK8POLBCTPS1MAPTTP53
SCHEMBL1317780 0.87 MEN1 (0.39) CDK8CHEK2PLK1SCN9AHRH3
SCHEMBL12115117 0.87 CDK8 (0.40) CDK8POLBHTTALDH1A1PDE4D
SCHEMBL21864582 0.86 MTNR1B (0.39) POLBCTPS1MAPTTP53HTT
SCHEMBL12115040 0.86 CDK8 (0.44) CDK8POLBCTPS1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP claimed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US claimed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP claimed
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP disclosed
WO-2010082563-A1 CYCLIC COMPOUND HAVING HETERO ATOM 第一三共株式会社 (JP) 2010-07-22 WO 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 (1 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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 CDK8 1711/4885POLB 3587/4885CTPS1 4237/4885

“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.