SCHEMBL4894366

SCHEMBL4894366

COc1cccc([C@@H](C)NC(=O)c2coc(-c3ccc4[nH]nc(N)c4c3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.56
ROCK2 O75116 16/20 0.56
PRKG1 Q13976 3/20 0.48
PRKACA P17612 3/20 0.48
GSK3A P49840 3/20 0.48
GSK3B P49841 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
PRKCG P05129 2/20 0.48
CDK1 P06493 2/20 0.48
RPS6KB1 P23443 2/20 0.48
CDK2 P24941 2/20 0.48
MAPK1 P28482 2/20 0.48
NEK4 P51957 2/20 0.48
CDK5 Q00535 2/20 0.48
PRKCD Q05655 2/20 0.48
PKN2 Q16513 2/20 0.48
CDC42BPA Q5VT25 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
SGK2 Q9HBY8 2/20 0.48
MAP4K4 O95819 2/20 0.48

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
SCHEMBL4889181 0.82 ROCK1 (0.59) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL4884996 0.82 ROCK1 (0.59) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL12907305 0.81 ROCK2 (0.66) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL12907307 0.81 ROCK2 (0.66) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL4891593 0.80 ROCK1 (0.67) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL4888782 0.79 ROCK1 (0.57) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL12605017 0.77 PDE4B (0.48) ROCK1ROCK2PRKG1PRKACAGSK3A
SCHEMBL4137873 0.76 SMN1; SMN2 (0.57) ROCK1ROCK2MAPK1
SCHEMBL16564610 0.76 SMN1; SMN2 (0.57) ROCK1ROCK2MAPK1
SCHEMBL2188384 0.75 CDK2 (0.52) ROCK1ROCK2PRKG1PRKACAGSK3A

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-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US claimed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 ROCK1 796/4885ROCK2 1337/4885PRKG1 576/4885

“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.