SCHEMBL17437136

SCHEMBL17437136

COC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNC P24863 17/20 1.00
CDK8 P49336 17/20 1.00
CDK19 Q9BWU1 2/20 0.71
TTK P33981 3/20 0.56

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
SCHEMBL17437267 0.86 CCNC (0.75) CCNCCDK8CDK19TTK
SCHEMBL20732974 0.86 CCNC (0.75) CCNCCDK8CDK19TTK
SCHEMBL17437221 0.85 CCNC (0.74) CCNCCDK8CDK19TTK
SCHEMBL17437036 0.85 CCNC (0.76) CCNCCDK8
SCHEMBL17437309 0.84 CCNC (0.78) CCNCCDK8CDK19
SCHEMBL17436947 0.83 CCNC (1.00) CCNCCDK8CDK19TTK
SCHEMBL17437018 0.82 CCNC (0.72) CCNCCDK8
SCHEMBL17437093 0.82 CCNC (1.00) CCNCCDK8
SCHEMBL20732896 0.82 CCNC (0.70) CCNCCDK8CDK19TTK
SCHEMBL17437220 0.82 CCNC (1.00) CCNCCDK8CDK19

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 1/4885CDK19 10/4885

“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.