SCHEMBL17453078

SCHEMBL17453078

CC(C)C(=O)N1CCC[C@H]1c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
SCD5 Q86SK9 2/20 0.46
CACNA1H O95180 1/20 0.43
CACNA1C Q13936 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.41
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ADAM17 P78536 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BCHE P06276 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
SCHEMBL17453074 0.87 RIPK1 (0.48) RIPK1CCNCCDK8HSD17B10DPP4
SCHEMBL17453076 0.85 CCNC (0.49) RIPK1CCNCCDK8SCD5CACNA1H
SCHEMBL17453070 0.85 HSD11B1 (0.51) RIPK1CCNCCDK8ADAM17
SCHEMBL14252999 0.85 RIPK1 (0.64) RIPK1SCD5ADAM17HSP90AA1HSP90AB1
SCHEMBL17453077 0.85 RIPK1 (0.64) RIPK1SCD5ADAM17HSP90AA1HSP90AB1
SCHEMBL29515757 0.83 RIPK1 (0.50) RIPK1CCNCCDK8SCD5CACNA1H
SCHEMBL13300490 0.83 RIPK1 (0.50) RIPK1CCNCCDK8SCD5CACNA1H
SCHEMBL1423483 0.83 RIPK1 (0.50) RIPK1CCNCCDK8SCD5CACNA1H
SCHEMBL28844538 0.83 CCNC (0.51) RIPK1CCNCCDK8SCD5CYP2D6
SCHEMBL2809146 0.78 CCNC (0.39) RIPK1CCNCCDK8SCD5DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 RIPK1 1591/4885CCNC 31/4885CDK8 1/4885

“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.