SCHEMBL4891848

SCHEMBL4891848

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
TLR9 Q9NR96 13/20 0.44
TLR8 Q9NR97 13/20 0.44
TLR7 Q9NYK1 13/20 0.44
SRC P12931 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL4897133 0.93 ROCK2 (0.42) TLR9TLR8TLR7SRCROCK2
SCHEMBL4897201 0.90 MAPK1 (0.52) CDC7CCNE1CDK2DBF4TLR9
SCHEMBL4901507 0.83 HDAC1 (0.52) SRCROCK2ROCK1
SCHEMBL4897299 0.83 MKNK1 (0.48) ROCK1MAPK3MAPK1
SCHEMBL4899463 0.82 ROCK2 (0.52) SRCROCK2ROCK1
SCHEMBL4888993 0.80 ROCK2 (0.49) CDC7CCNE1CDK2DBF4SRC
SCHEMBL12907145 0.79 JAK2 (0.58) SRCROCK2ROCK1JAK2JAK1
SCHEMBL4886869 0.77 ESRRG (0.54) SRCROCK2ROCK1JAK2DYRK1A
SCHEMBL4895989 0.77 SRC (0.49) CDC7CCNE1CDK2DBF4SRC
SCHEMBL4888996 0.76 JAK2 (0.50) CDC7CCNE1CDK2DBF4ROCK2

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 CDC7 256/4885CCNE1 537/4885CDK2 289/4885

“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.