SCHEMBL4896885

SCHEMBL4896885

Cn1nc(N)c2cc(-c3ccc(C(=O)O)o3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
RPA1 P27694 2/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
DPP4 P27487 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PDE4B Q07343 2/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL5184247 0.82 FLT3 (0.36) KDM4EALDH1A1NR4A2CLK4CLK2
SCHEMBL4895606 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HPGDRPA1NR4A1
SCHEMBL4894995 0.78 JAK2 (0.48) KDM4EALDH1A1HPGDRPA1DPP4
SCHEMBL4895585 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13721791 0.75 PTPN1 (0.48) KDM4EALDH1A1HPGDRPA1PDE4B
SCHEMBL23559718 0.74 HCAR3 (0.50) KDM4EALDH1A1HPGDHTT
SCHEMBL3345272 0.73 ALDH1A1 (0.59) KDM4EALDH1A1HPGDRPA1NR4A1
SCHEMBL30484838 0.73 KDM4E (0.60) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL924367 0.73 JAK2 (0.52) KDM4EALDH1A1HPGDRPA1NR4A1
SCHEMBL28752449 0.72 GSK3B (0.59) KDM4EALDH1A1HPGDNR4A2MEN1

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 KDM4E 2561/4885ALDH1A1 3961/4885HPGD 1322/4885

“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.