SCHEMBL1318684

SCHEMBL1318684

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.44
HRH3 Q9Y5N1 4/20 0.39
LIPG Q9Y5X9 1/20 0.38
CTPS1 P17812 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
MAP4K4 O95819 1/20 0.35
RPS6KB1 P23443 1/20 0.35
SCN9A Q15858 1/20 0.34
HTR1B P28222 1/20 0.34
OPRK1 P41145 1/20 0.34
CHEK2 O96017 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL12115089 0.94 CDK8 (0.41) CDK8HRH3LIPGCTPS1POLB
SCHEMBL1320572 0.94 CDK8 (0.45) CDK8HRH3CTPS1POLBMAPT
SCHEMBL1318385 0.89 CDK8 (0.42) CDK8HRH3LIPGCTPS1POLB
SCHEMBL12115149 0.85 CDK8 (0.41) CDK8HRH3CTPS1POLBMAPT
SCHEMBL12115071 0.85 CDK8 (0.47) CDK8HRH3CTPS1POLBMAPT
SCHEMBL1317780 0.84 MEN1 (0.39) CDK8HRH3SCN9AHTR1BOPRK1
SCHEMBL12115132 0.84 CDK8 (0.41) CDK8HRH3CTPS1POLBMAPT
SCHEMBL12115091 0.84 CDK8 (0.41) CDK8HRH3LIPGCTPS1POLB
SCHEMBL12115108 0.84 CDK8 (0.43) CDK8HRH3CTPS1POLBMAPT
SCHEMBL12205590 0.84 CDK8 (0.41) CDK8HRH3CTPS1POLBMAPT

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
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP disclosed
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
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 1711/4885HRH3 2680/4885LIPG 3713/4885

“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.