SCHEMBL17453074

SCHEMBL17453074

Cc1ccc([C@@H]2CCCN2C(=O)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.48
▸ AGTR2 P50052 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ DPP4 P27487 2/20 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
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CCNC P24863 6/20 0.40
▸ CDK8 P49336 6/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ TRPC3 Q13507 1/20 0.40
▸ TRPC6 Q9Y210 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 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
SCHEMBL17453076 0.87 CCNC (0.49) RIPK1ROCK2HSD17B10CCNCCDK8
SCHEMBL17453078 0.87 RIPK1 (0.47) RIPK1HSD17B10DPP4FAPDPP8
SCHEMBL17453070 0.87 HSD11B1 (0.51) RIPK1ROCK2CCNCCDK8ADAM17
SCHEMBL17453077 0.86 RIPK1 (0.64) RIPK1ADAM17HSP90AA1HSP90AB1
SCHEMBL14252999 0.86 RIPK1 (0.64) RIPK1ADAM17HSP90AA1HSP90AB1
SCHEMBL25310761 0.85 DPP4 (0.43) RIPK1AGTR2ROCK2HSD17B10DPP4
SCHEMBL17142323 0.83 RIPK1 (0.55) RIPK1AGTR2ROCK2HSD17B10NPC1
SCHEMBL24133882 0.82 RIPK1 (0.41) RIPK1AGTR2ROCK2HSD17B10NPC1
SCHEMBL21425146 0.81 RIPK1 (0.50) RIPK1AGTR2ROCK2HSD17B10NPC1
SCHEMBL11457784 0.78 RIPK1 (0.39) RIPK1HSD17B10ADAM17

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 1591/4885AGTR2 2469/4885ROCK2 1068/4885

“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.

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