SCHEMBL4888993

SCHEMBL4888993

Nc1n[nH]c2ccc(-c3ccc(C(=O)NCc4cccc(O)c4)o3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
CDC7 O00311 2/20 0.45
CDK2 P24941 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNE1 P24864 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
ROCK1 Q13464 3/20 0.44
JAK2 O60674 3/20 0.44
PRKACA P17612 2/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
PIM1 P11309 1/20 0.44
KDR P35968 1/20 0.44
GSK3B P49841 1/20 0.44
AURKB Q96GD4 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44

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
SCHEMBL4891729 0.92 PRKACA (0.46) ROCK2ALDH1A1KDM4ELMNAHPGD
SCHEMBL4894925 0.89 MAPK1 (0.54) ROCK2ALDH1A1KDM4ELMNAHPGD
SCHEMBL4889529 0.89 ROCK2 (0.63) ROCK2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4894817 0.85 ROCK2 (0.53) ROCK2ALDH1A1KDM4ELMNAHPGD
SCHEMBL13925601 0.83 KDR (0.44) ROCK2ALDH1A1CDC7CDK2SMN1; SMN2
SCHEMBL4188172 0.82 JAK2 (0.49) ROCK2ALDH1A1KDM4ECDC7CDK2
SCHEMBL12907145 0.81 JAK2 (0.58) ROCK2ROCK1JAK2SRCTTK
SCHEMBL4893601 0.81 PRKACA (0.60) ROCK2ALDH1A1KDM4EHPGDCDK2
SCHEMBL4893613 0.81 ALDH1A1 (0.55) ROCK2ALDH1A1KDM4ELMNAHPGD
SCHEMBL4895585 0.80 ALDH1A1 (0.43) ROCK2ALDH1A1KDM4ELMNAHPGD

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 8 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-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 1337/4885ALDH1A1 3961/4885KDM4E 2561/4885

“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.