SCHEMBL4894826

SCHEMBL4894826

C[C@@H](NC(=O)c1cnc(-c2ccc3[nH]nc(N)c3c2)[nH]1)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.44
ROCK1 Q13464 4/20 0.43
ROCK2 O75116 3/20 0.43
MAPK3 P27361 2/20 0.42
JAK2 O60674 2/20 0.40
DYRK1A Q13627 3/20 0.39
JAK1 P23458 1/20 0.38
CSNK1D P48730 1/20 0.38

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
SCHEMBL4888782 0.89 ROCK1 (0.57) MAPK1ROCK1ROCK2
SCHEMBL5200237 0.85 MAPK1 (0.42) MAPK1ROCK1ROCK2MAPK3JAK2
SCHEMBL12907347 0.80 MAPK1 (0.58) MAPK1ROCK1ROCK2MAPK3JAK2
SCHEMBL4895989 0.80 SRC (0.49) MAPK1ROCK1ROCK2MAPK3JAK2
SCHEMBL4889237 0.74 PIN1 (0.52) ROCK1ROCK2JAK2DYRK1AJAK1
SCHEMBL12907361 0.72 TDP1 (0.46) MAPK1ROCK1ROCK2MAPK3JAK2
SCHEMBL12907362 0.72 TDP1 (0.46) MAPK1ROCK1ROCK2MAPK3JAK2
SCHEMBL4890315 0.72 MAPK1 (0.52) MAPK1ROCK2MAPK3JAK2JAK1
SCHEMBL4896403 0.71 ROCK2 (0.62) ROCK1ROCK2
SCHEMBL12907518 0.70 MAPK1 (0.59) MAPK1ROCK1ROCK2MAPK3JAK2

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 MAPK1 142/4885ROCK1 796/4885ROCK2 1337/4885

“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.