SCHEMBL4896403

SCHEMBL4896403

COc1cccc(CNC(=O)c2cnc(-c3ccc4[nH]nc(N)c4c3)[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.62
SMN1; SMN2 Q16637 1/20 0.56
PRKACA P17612 3/20 0.54
PRKACG P22612 3/20 0.54
PRKACB P22694 3/20 0.54
MAPT P10636 2/20 0.54
ROCK1 Q13464 9/20 0.53
DGAT2 Q96PD7 1/20 0.49

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
SCHEMBL4895989 0.87 SRC (0.49) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4890315 0.86 MAPK1 (0.52) ROCK2MAPT
SCHEMBL4889529 0.82 ROCK2 (0.63) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4888782 0.82 ROCK1 (0.57) ROCK2PRKACAROCK1
SCHEMBL4886825 0.82 DYRK1A (0.49) ROCK2ROCK1
SCHEMBL12907153 0.81 SMN1; SMN2 (0.67) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4897170 0.81 MAPT (0.59) ROCK2PRKACAPRKACGPRKACBMAPT
SCHEMBL4899389 0.81 LMNA (0.60) ROCK2PRKACAPRKACGPRKACBMAPT
SCHEMBL4899126 0.80 ROCK2 (0.60) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL12779305 0.76 ROCK2 (1.00) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB

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 ROCK2 1337/4885SMN1; SMN2 4681/4885PRKACA 718/4885

“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.