SCHEMBL4889529

SCHEMBL4889529

COc1cccc(CNC(=O)c2ccc(-c3ccc4[nH]nc(N)c4c3)o2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
PRKACA P17612 3/20 0.55
PRKACG P22612 2/20 0.55
PRKACB P22694 2/20 0.55
MAPT P10636 2/20 0.52
ROCK1 Q13464 6/20 0.52
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
PRKX P51817 1/20 0.49
PRKCQ Q04759 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MMP13 P45452 1/20 0.48

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
SCHEMBL4893601 0.93 PRKACA (0.60) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4894817 0.89 ROCK2 (0.53) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4888993 0.89 ROCK2 (0.49) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4894925 0.88 MAPK1 (0.54) ROCK2SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL12907153 0.84 SMN1; SMN2 (0.67) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL13925599 0.83 ROCK2 (0.50) ROCK2SMN1; SMN2MAPTROCK1GSK3B
SCHEMBL4899126 0.83 ROCK2 (0.60) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4896403 0.82 ROCK2 (0.62) ROCK2SMN1; SMN2PRKACAPRKACGPRKACB
SCHEMBL4889181 0.81 ROCK1 (0.59) ROCK2PRKACAROCK1CYP3A4CYP2D6
SCHEMBL4884996 0.81 ROCK1 (0.59) ROCK2PRKACAROCK1CYP3A4CYP2D6

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 1337/4885SMN1; SMN2 4681/4885PRKACA 718/4885

“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.