SCHEMBL17437196

SCHEMBL17437196

Cn1cc(-c2ccc(-c3cncc4ccc(C(N)=O)cc34)cc2)cn1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNC P24863 19/20 0.76
CDK8 P49336 19/20 0.76
MKNK1 Q9BUB5 1/20 0.66
MKNK2 Q9HBH9 1/20 0.66

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
SCHEMBL17437074 0.89 CCNC (0.78) CCNCCDK8MKNK1MKNK2
Hydrochloric Acid SCHEMBL17437192 0.88 CCNC (0.76) CCNCCDK8MKNK1MKNK2
SCHEMBL17437306 0.86 CCNC (1.00) CCNCCDK8MKNK1MKNK2
SCHEMBL17437036 0.84 CCNC (0.76) CCNCCDK8
SCHEMBL17436975 0.83 CCNC (1.00) CCNCCDK8MKNK1MKNK2
SCHEMBL17437027 0.83 CCNC (0.70) CCNCCDK8
SCHEMBL17437018 0.82 CCNC (0.72) CCNCCDK8
SCHEMBL17437093 0.82 CCNC (1.00) CCNCCDK8
SCHEMBL17437004 0.82 CCNC (0.53) CCNCCDK8MKNK1MKNK2
SCHEMBL10138319 0.81 SLC22A12 (0.54) CCNCCDK8MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169678-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS Merck Patent GmbH (DE) 2017-05-24 EP disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 WO disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 CCNC 31/4885CDK8 1/4885MKNK1 257/4885

“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.