SCHEMBL4893601

SCHEMBL4893601

COc1cccc(CNC(=O)c2ccc(-c3ccc4c(N)n[nH]c4c3)o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 3/20 0.60
PRKACG P22612 2/20 0.60
PRKACB P22694 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
ROCK2 O75116 10/20 0.56
ROCK1 Q13464 6/20 0.54
MAPT P10636 2/20 0.52
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
PRKX P51817 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PRKCQ Q04759 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
SCHEMBL4889529 0.93 ROCK2 (0.63) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2
SCHEMBL4891729 0.89 PRKACA (0.46) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2
SCHEMBL4894817 0.82 ROCK2 (0.53) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2
SCHEMBL4888993 0.81 ROCK2 (0.49) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2
SCHEMBL4894925 0.80 MAPK1 (0.54) SMN1; SMN2ROCK2MAPTKDM4EALDH1A1
SCHEMBL12907153 0.78 SMN1; SMN2 (0.67) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2
SCHEMBL12779421 0.76 PRKACA (0.77) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2
SCHEMBL24137495 0.76 PRKACA (0.53) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2
SCHEMBL13925599 0.76 ROCK2 (0.50) SMN1; SMN2ROCK2ROCK1MAPTGSK3B
SCHEMBL4899126 0.75 ROCK2 (0.60) PRKACAPRKACGPRKACBSMN1; SMN2ROCK2

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 PRKACA 718/4885PRKACG 850/4885PRKACB 855/4885

“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.