SCHEMBL4886825

SCHEMBL4886825

Nc1n[nH]c2ccc(-c3ncc(C(=O)NCc4cc(F)cc(F)c4)[nH]3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.49
WNT1 P04628 4/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
MAPK1 P28482 2/20 0.44
NAMPT P43490 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
JAK2 O60674 2/20 0.41
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
ROCK2 O75116 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4895989 0.85 SRC (0.49) DYRK1AWNT1MAPK1JAK2ROCK2
SCHEMBL4890315 0.84 MAPK1 (0.52) MAPK1JAK2ROCK2
SCHEMBL4896403 0.82 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL4889237 0.77 PIN1 (0.52) DYRK1ACLK2JAK2ROCK2ROCK1
SCHEMBL4897159 0.73 ROCK2 (0.49) ROCK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6221476 0.71 DYRK1A (0.67) DYRK1AWNT1CLK2CLK3
SCHEMBL4899070 0.71 MAOB (0.51) MAPK1ROCK2ROCK1
SCHEMBL12907378 0.70 KDM4E (0.44) DYRK1AWNT1CLK2CLK3MAPK1
SCHEMBL4888626 0.70 MAOB (0.50) MAPK1ROCK2ROCK1
SCHEMBL10702884 0.70 EGLN1 (0.43) NAMPTMETROCK2ROCK1

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 DYRK1A 585/4885WNT1 1953/4885CLK2 235/4885

“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.