SCHEMBL4896946

SCHEMBL4896946

O=C(NCc1cccc(O)c1)c1cnc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
ROCK2 O75116 4/20 0.52
ROCK1 Q13464 2/20 0.52
GRK2 P25098 1/20 0.43
MMP13 P45452 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
IDO1 P14902 1/20 0.43
MTOR P42345 1/20 0.43
ESRRG P62508 1/20 0.42
PIN1 Q13526 1/20 0.42
USP30 Q70CQ3 1/20 0.41
GSK3B P49841 1/20 0.41
MAOB P27338 3/20 0.41
MT-CO2 P00403 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL4886692 0.92 SRC (0.51) SRCROCK2ROCK1GRK2MMP13
SCHEMBL4897239 0.92 SRC (0.55) SRCROCK2ROCK1GRK2MMP13
SCHEMBL4899070 0.90 MAOB (0.51) SRCROCK2ROCK1MAOB
SCHEMBL4890357 0.88 SRC (0.47) SRCROCK2ROCK1GRK2MMP13
SCHEMBL4899116 0.88 SRC (0.48) SRCROCK2ROCK1GRK2DGAT2
SCHEMBL4899110 0.87 HDAC1 (0.44) SRCROCK2GRK2DGAT2ESRRG
SCHEMBL4899454 0.87 SRC (0.56) SRCROCK2ROCK1MMP13DGAT2
SCHEMBL4895983 0.86 SRC (0.50) SRCROCK2ROCK1MMP13MAOB
SCHEMBL4891551 0.86 SRC (0.50) SRCROCK2ROCK1MMP13DGAT2
SCHEMBL4888626 0.84 MAOB (0.50) SRCROCK2ROCK1MMP13MAOB

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 7 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-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
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
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 1337/4885ROCK1 796/4885

“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.