SCHEMBL4899070

SCHEMBL4899070

O=C(NCc1cccc(F)c1)c1cnc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
ROCK2 O75116 7/20 0.48
TP53 P04637 1/20 0.48
SRC P12931 3/20 0.47
EGFR P00533 1/20 0.46
ROCK1 Q13464 1/20 0.43
RET P07949 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 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
SCHEMBL4897159 0.93 ROCK2 (0.49) MAOBROCK2TP53SRCROCK1
SCHEMBL4888626 0.90 MAOB (0.50) MAOBROCK2TP53SRCROCK1
SCHEMBL4896946 0.90 SRC (0.57) MAOBROCK2SRCROCK1
SCHEMBL4886692 0.89 SRC (0.51) MAOBROCK2TP53SRCROCK1
SCHEMBL4899110 0.84 HDAC1 (0.44) MAOBROCK2SRC
SCHEMBL4897239 0.81 SRC (0.55) ROCK2SRCEGFRROCK1MAPT
SCHEMBL4899116 0.81 SRC (0.48) MAOBROCK2SRCEGFRROCK1
SCHEMBL4890357 0.79 SRC (0.47) ROCK2SRCROCK1
SCHEMBL4899454 0.77 SRC (0.56) MAOBROCK2SRCEGFRROCK1
SCHEMBL254400 0.77 ROCK2 (0.62) MAOBROCK2TP53SRCEGFR

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 MAOB 4611/4885ROCK2 1337/4885TP53 4092/4885

“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.