SCHEMBL4897299

SCHEMBL4897299

Nc1n[nH]c2cc(-c3nc(C(=O)NCc4cccc(Cl)c4)co3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPK3 P27361 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
CNR2 P34972 1/20 0.42
KDR P35968 2/20 0.42
F11 P03951 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
KLKB1 P03952 1/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4897201 0.93 MAPK1 (0.52) ADORA2AADORA1MAPK1MAPK3ADORA3
SCHEMBL4897133 0.90 ROCK2 (0.42) MAPK1KDRKLKB1ABL1BCR
SCHEMBL4891848 0.83 CDC7 (0.45) MAPK1MAPK3ROCK1
SCHEMBL923021 0.79 MAPK1 (0.64) MKNK1MKNK2MAPK1MAPK3KLKB1
SCHEMBL920084 0.76 JAK2 (0.50) KDRABL1BCRKITFLT3
SCHEMBL12907536 0.75 JAK2 (0.46) KDRABL1BCRROCK1
SCHEMBL922525 0.73 MAPK1 (0.74) MAPK1MAPK3ROCK1
SCHEMBL4894925 0.73 MAPK1 (0.54) MAPK1MAPK3
SCHEMBL4036215 0.73 FAAH (0.48) MKNK1MKNK2MAPK1MAPK3
SCHEMBL12339930 0.72 HCRTR1 (0.54) MAPK1MEN1HCRTR1KMT2A

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 MKNK1 48/4885MKNK2 52/4885ADORA2A 3524/4885

“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.