SCHEMBL1317780

SCHEMBL1317780

NC(=O)c1ccc2cncc(N3CCC(OCCOC4CCCCO4)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PLK1 P53350 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
SCN9A Q15858 1/20 0.34
P2RX3 P56373 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CHEK2 O96017 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRK1 P41145 2/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL12115068 0.89 CDK8 (0.39) ICAM1SELECDK8HRH3CPT2
SCHEMBL12114999 0.89 ICAM1 (0.40) MEN1KMT2AICAM1SELECDK8
SCHEMBL1320572 0.88 CDK8 (0.45) CDK8HRH3SCN9AOPRK1HTR1B
SCHEMBL1318385 0.87 CDK8 (0.42) CDK8PLK1HRH3SCN9ACHEK2
SCHEMBL12115038 0.85 CDK8 (0.40) MEN1KMT2ACDK8OPRM1OPRK1
SCHEMBL1318684 0.84 CDK8 (0.44) CDK8HRH3SCN9ACHEK2OPRK1
SCHEMBL12115089 0.83 CDK8 (0.41) CDK8HRH3SCN9A
SCHEMBL12115054 0.82 CDK8 (0.40) CDK8PLK1CHEK2OPRM1OPRK1
SCHEMBL13273171 0.81 CDK8 (0.41) KMT2ACDK8KDM4CNPC1RAB9A
SCHEMBL12115120 0.80 CDK8 (0.38) KMT2ACDK8L3MBTL1RAB9AHRH3

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 MEN1 892/4885KMT2A 2281/4885ICAM1 4781/4885

“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.