SCHEMBL4889237

SCHEMBL4889237

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
JAK2 O60674 17/20 0.51
TYK2 P29597 3/20 0.45
JAK3 P52333 3/20 0.45
PLK4 O00444 2/20 0.45
DAPK3 O43293 2/20 0.45
DYRK3 O43781 2/20 0.45
ROCK2 O75116 2/20 0.45
MAP4K4 O95819 2/20 0.45
CDK1 P06493 2/20 0.45
CDK2 P24941 2/20 0.45
MARK3 P27448 2/20 0.45
CLK2 P49760 2/20 0.45
CDK5 Q00535 2/20 0.45
PRKCD Q05655 2/20 0.45
ROCK1 Q13464 2/20 0.45
DYRK1A Q13627 2/20 0.45
PKN2 Q16513 2/20 0.45
MARK2 Q7KZI7 2/20 0.45
AURKB Q96GD4 2/20 0.45

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
SCHEMBL5200080 0.86 PIN1 (0.51) PIN1JAK2DYRK1APRKAG1PRKAA1
SCHEMBL5185743 0.81 JAK2 (0.48) JAK2TYK2JAK3PLK4DAPK3
SCHEMBL922263 0.78 JAK2 (0.53) JAK2TYK2JAK3PLK4DAPK3
SCHEMBL4886825 0.77 DYRK1A (0.49) JAK2ROCK2CLK2ROCK1DYRK1A
SCHEMBL4895989 0.76 SRC (0.49) JAK2ROCK2CDK2ROCK1DYRK1A
SCHEMBL4890315 0.75 MAPK1 (0.52) JAK2ROCK2JAK1MKNK2
SCHEMBL924519 0.75 JAK2 (0.49) JAK2TYK2JAK3PLK4DAPK3
SCHEMBL4894826 0.74 MAPK1 (0.44) JAK2ROCK2ROCK1DYRK1AJAK1
SCHEMBL31240425 0.74 NUDT1 (0.48) JAK2TYK2JAK3PLK4DAPK3
SCHEMBL26686408 0.74 NUDT1 (0.48) JAK2TYK2JAK3PLK4DAPK3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1802583-A1 HETEROCYCLIC CARBONYL COMPOUNDS Merck Patent GmbH (DE) 2007-07-04 EP claimed
WO-2006045350-A1 HETEROCYCLIC CARBONYL COMPOUNDS MERCK PATENT GMBH (DE) 2006-05-04 WO 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-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
EP-1802583-A1 HETEROCYCLIC CARBONYL COMPOUNDS Merck Patent GmbH (DE) 2007-07-04 EP disclosed
WO-2006045350-A1 HETEROCYCLIC CARBONYL COMPOUNDS MERCK PATENT GMBH (DE) 2006-05-04 WO 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 PIN1 3200/4885JAK2 375/4885TYK2 107/4885

“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.