SCHEMBL4897133

SCHEMBL4897133

Nc1n[nH]c2cc(-c3nc(C(=O)NCc4cccc(O)c4)co3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
SRC P12931 1/20 0.41
KLKB1 P03952 1/20 0.41
ABL1 P00519 4/20 0.41
BCR P11274 4/20 0.41
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
SGK1 O00141 1/20 0.41
MAPK1 P28482 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
KDR P35968 2/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 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
SCHEMBL4891848 0.93 CDC7 (0.45) ROCK2ROCK1SRCTLR9TLR8
SCHEMBL4897299 0.90 MKNK1 (0.48) ROCK1KLKB1ABL1BCRMAPK1
SCHEMBL4901507 0.83 HDAC1 (0.52) ROCK2ROCK1SRCHDAC1HDAC8
SCHEMBL4897201 0.83 MAPK1 (0.52) ROCK2TLR9TLR8TLR7MAPK1
SCHEMBL4899463 0.82 ROCK2 (0.52) ROCK2ROCK1SRCHDAC1HDAC8
SCHEMBL4891729 0.80 PRKACA (0.46) ROCK2ROCK1SRCKLKB1ABL1
SCHEMBL920084 0.76 JAK2 (0.50) ROCK2ROCK1ABL1BCRSGK1
SCHEMBL4901490 0.76 MAOB (0.53) ROCK2ROCK1SRCHDAC1HDAC8
SCHEMBL4889137 0.76 HSD17B1 (0.52) KLKB1HDAC1HDAC8HDAC6PDE4B
SCHEMBL12907536 0.75 JAK2 (0.46) ROCK1ABL1BCRKDRPDPK1

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 6 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 disclosed
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 ROCK2 1337/4885ROCK1 796/4885SRC 334/4885

“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.