SCHEMBL4894817

SCHEMBL4894817

Nc1n[nH]c2ccc(-c3ccc(C(=O)NCc4cccc(OC(F)(F)F)c4)o3)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.53
ROCK1 Q13464 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 1/20 0.46
MMP13 P45452 1/20 0.46
PRKACA P17612 2/20 0.44
PRKACG P22612 2/20 0.44
PRKACB P22694 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTR2C P28335 1/20 0.42
ABCB1 P08183 1/20 0.42
KLKB1 P03952 1/20 0.42
GLS O94925 1/20 0.41
CHRM3 P20309 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
SCHEMBL4889529 0.89 ROCK2 (0.63) ROCK2ROCK1SMN1; SMN2MMP13PRKACA
SCHEMBL4895089 0.86 MAPT (0.54) ALDH1A1LMNAHPGD
SCHEMBL4888993 0.85 ROCK2 (0.49) ROCK2ROCK1SMN1; SMN2PRKACAPRKACG
SCHEMBL4894925 0.84 MAPK1 (0.54) ROCK2SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL4893601 0.82 PRKACA (0.60) ROCK2ROCK1SMN1; SMN2MMP13PRKACA
SCHEMBL4891729 0.78 PRKACA (0.46) ROCK2ROCK1SMN1; SMN2PRKACAPRKACG
SCHEMBL4188172 0.78 JAK2 (0.49) ROCK2ROCK1PRKACAKDM4EALDH1A1
SCHEMBL1180445 0.75 JAK2 (0.49) ROCK2ROCK1PRKACAKDM4E
SCHEMBL4899126 0.74 ROCK2 (0.60) ROCK2ROCK1SMN1; SMN2PRKACAPRKACG
SCHEMBL12907169 0.74 JAK2 (0.60) ROCK2ROCK1

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 ROCK2 1337/4885ROCK1 796/4885SMN1; SMN2 4681/4885

“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.