SCHEMBL4891593

SCHEMBL4891593

COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccc4[nH]nc(N)c4c3)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 0.67
PRKACA P17612 4/20 0.67
GSK3A P49840 4/20 0.67
GSK3B P49841 4/20 0.67
CLK4 Q9HAZ1 4/20 0.67
AURKB Q96GD4 3/20 0.67
MAP4K4 O95819 2/20 0.67
RPS6KA3 P51812 2/20 0.67
CHEK1 O14757 2/20 0.67
PRKX P51817 2/20 0.67
PRKCQ Q04759 2/20 0.67
AURKA O14965 1/20 0.67
GRK5 P34947 1/20 0.67
CSNK1A1 P48729 1/20 0.67
CDK8 P49336 1/20 0.67
ACVR1 Q04771 1/20 0.67
ROCK2 O75116 15/20 0.59
PRKG1 Q13976 4/20 0.56
PRKCG P05129 3/20 0.56
RPS6KB1 P23443 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
SCHEMBL12907305 0.83 ROCK2 (0.66) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL12907307 0.83 ROCK2 (0.66) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4884996 0.83 ROCK1 (0.59) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4889181 0.83 ROCK1 (0.59) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4899126 0.82 ROCK2 (0.60) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4923395 0.81 ROCK1 (1.00) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4929608 0.81 ROCK1 (1.00) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4888782 0.81 ROCK1 (0.57) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4894366 0.80 ROCK1 (0.56) ROCK1PRKACAGSK3AGSK3BCLK4
SCHEMBL4137873 0.78 SMN1; SMN2 (0.57) ROCK1ROCK2MAPK1

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 796/4885PRKACA 718/4885GSK3A 901/4885

“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.