SCHEMBL4886869

SCHEMBL4886869

Nc1n[nH]c2ccc(-c3ccc(C(=O)NCc4cccc(O)c4)s3)cc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.54
DYRK1A Q13627 6/20 0.53
DYRK1B Q9Y463 6/20 0.53
HPGDS O60760 5/20 0.50
ACKR3 P25106 2/20 0.46
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.43
SRC P12931 1/20 0.43
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL4889624 0.90 DYRK1A (0.54) ESRRGDYRK1ADYRK1BACKR3ROCK2
SCHEMBL4899126 0.87 ROCK2 (0.60) DYRK1AROCK2ROCK1HSD17B2
SCHEMBL12907145 0.80 JAK2 (0.58) ROCK2ROCK1SRCJAK2
SCHEMBL4888993 0.80 ROCK2 (0.49) DYRK1AROCK2ROCK1SRCJAK2
SCHEMBL4895989 0.78 SRC (0.49) DYRK1AROCK2ROCK1SRCJAK2
SCHEMBL4891848 0.77 CDC7 (0.45) DYRK1AROCK2ROCK1SRCJAK2
SCHEMBL12907304 0.76 TTK (0.54) ROCK2ROCK1SRCJAK2
SCHEMBL20764019 0.76 ESRRG (0.79) ESRRGHPGDSACKR3HSD17B1HSD17B2
SCHEMBL12496876 0.75 HSD17B1 (0.65) ESRRGDYRK1ADYRK1BHPGDSACKR3
SCHEMBL12907389 0.75 KDM4E (0.55) HPGDSJAK2

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 4 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-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 ESRRG 2267/4885DYRK1A 585/4885DYRK1B 540/4885

“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.