SCHEMBL1329286

SCHEMBL1329286

COC(=O)c1cccc(C#Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
PRKCI P41743 1/20 0.45
NEK1 Q96PY6 5/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NUDT1 P36639 1/20 0.42
AXL P30530 1/20 0.41
ROCK2 O75116 2/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1328071 0.88 PRKCI (0.46) CDK8PRKCIMKNK2NUDT1ROCK2
SCHEMBL1328801 0.86 KDM4E (0.46) CDK8PRKCINEK1NUDT1AXL
SCHEMBL1329848 0.81 AAK1 (0.52) ROCK2BRD4ROCK1
SCHEMBL1328384 0.81 NUDT1 (0.44) NUDT1AXLMAP2K1BRD4
SCHEMBL1328187 0.80 JAK3 (0.53) PRKCIROCK2
SCHEMBL1329223 0.79 GRM5 (0.43) CDK8PRKCINUDT1AXLPRKACA
SCHEMBL1329895 0.79 NUDT1 (0.48) CDK8PRKCINUDT1AXLPRKACA
SCHEMBL27847595 0.79 PRKCI (0.39) PRKCINUDT1ROCK2PRKACAROCK1
SCHEMBL1328927 0.78 ACACB (0.42) PRKCINUDT1ROCK2BRD4ROCK1
SCHEMBL1327879 0.77 NUDT1 (0.42) CDK8PRKCINUDT1ROCK2PRKACA

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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 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 (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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 CDK8 239/4885PRKCI 46/4885NEK1 224/4885

“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.