SCHEMBL4895989

SCHEMBL4895989

Nc1n[nH]c2ccc(-c3ncc(C(=O)NCc4cccc(O)c4)[nH]3)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
ROCK2 O75116 5/20 0.45
MAPK1 P28482 3/20 0.43
ROCK1 Q13464 3/20 0.43
MAPK3 P27361 2/20 0.40
DYRK1A Q13627 3/20 0.40
WNT1 P04628 2/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
TTK P33981 2/20 0.39
IDO1 P14902 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
SCHEMBL4890315 0.90 MAPK1 (0.52) ROCK2MAPK1MAPK3JAK2JAK1
SCHEMBL4896403 0.87 ROCK2 (0.62) ROCK2ROCK1SMN1; SMN2PRKACAPRKACG
SCHEMBL4886825 0.85 DYRK1A (0.49) ROCK2MAPK1ROCK1DYRK1AWNT1
SCHEMBL4897239 0.84 SRC (0.55) SRCROCK2ROCK1IDO1
SCHEMBL4896946 0.83 SRC (0.57) SRCROCK2ROCK1IDO1
SCHEMBL4886692 0.80 SRC (0.51) SRCROCK2ROCK1
SCHEMBL4894826 0.80 MAPK1 (0.44) ROCK2MAPK1ROCK1MAPK3DYRK1A
SCHEMBL12907145 0.80 JAK2 (0.58) SRCROCK2MAPK1ROCK1MAPK3
SCHEMBL4891551 0.79 SRC (0.50) SRCROCK2ROCK1IDO1
SCHEMBL4895983 0.79 SRC (0.50) SRCROCK2MAPK1ROCK1

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 SRC 334/4885ROCK2 1337/4885MAPK1 142/4885

“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.