SCHEMBL4897201

SCHEMBL4897201

Nc1n[nH]c2ccc(-c3nc(C(=O)NCc4cccc(Cl)c4)co3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MAPK3 P27361 1/20 0.52
JAK2 O60674 4/20 0.48
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
JAK1 P23458 2/20 0.46
CDC7 O00311 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
ROCK2 O75116 2/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
CNR2 P34972 1/20 0.42
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
SCHEMBL4897299 0.93 MKNK1 (0.48) MAPK1MAPK3ADORA2AADORA1ADORA3
SCHEMBL4891848 0.90 CDC7 (0.45) MAPK1MAPK3JAK2JAK1CDC7
SCHEMBL4897133 0.83 ROCK2 (0.42) MAPK1ROCK2TLR9TLR8TLR7
SCHEMBL4894925 0.80 MAPK1 (0.54) MAPK1MAPK3JAK2JAK1CDC7
SCHEMBL922525 0.79 MAPK1 (0.74) MAPK1MAPK3JAK2JAK1ROCK2
SCHEMBL4889624 0.78 DYRK1A (0.54) MAPK1MAPK3JAK2JAK1ROCK2
SCHEMBL4890315 0.77 MAPK1 (0.52) MAPK1MAPK3JAK2JAK1ROCK2
SCHEMBL4888996 0.76 JAK2 (0.50) JAK2JAK1CDC7CCNE1CDK2
SCHEMBL4039865 0.75 JAK2 (0.67) MAPK1MAPK3JAK2JAK1MEN1
Hydrochloric Acid SCHEMBL923474 0.74 JAK2 (0.65) MAPK1MAPK3JAK2JAK1MEN1

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 MAPK1 142/4885MAPK3 227/4885JAK2 375/4885

“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.