SCHEMBL4897170

SCHEMBL4897170

COc1cccc(CNC(=O)c2cnc(-c3cccc(Cl)c3)[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
MMP13 P45452 2/20 0.55
MMP2 P08253 1/20 0.55
MMP10 P09238 1/20 0.55
DGAT2 Q96PD7 1/20 0.54
ROCK2 O75116 7/20 0.53
ROCK1 Q13464 7/20 0.53
PRKACA P17612 2/20 0.52
GRK5 P34947 1/20 0.52
PRKX P51817 1/20 0.52
PRKCQ Q04759 1/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
PRKACG P22612 1/20 0.52
PRKACB P22694 1/20 0.52
MAPK1 P28482 1/20 0.51
MAPK10 P53779 1/20 0.51
AURKA O14965 1/20 0.50

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
SCHEMBL4888988 0.90 LMNA (0.53) ROCK2ROCK1LMNATP53MAPK1
SCHEMBL4899389 0.88 LMNA (0.60) MAPTMMP13DGAT2ROCK2ROCK1
SCHEMBL4895983 0.85 SRC (0.50) MMP13ROCK2ROCK1LMNAMAPK1
SCHEMBL4889129 0.82 POLB (0.49) ROCK2ROCK1LMNATP53THRB
SCHEMBL4896403 0.81 ROCK2 (0.62) MAPTDGAT2ROCK2ROCK1PRKACA
SCHEMBL4897239 0.77 SRC (0.55) MAPTMMP13DGAT2ROCK2ROCK1
SCHEMBL5740253 0.77 AURKA (0.67) MAPTMMP13ROCK2ROCK1PRKACA
SCHEMBL4890315 0.75 MAPK1 (0.52) MAPTROCK2LMNAMAPK1
SCHEMBL25754934 0.73 PIN1 (0.63) MAPTDGAT2AURKA
SCHEMBL4891551 0.73 SRC (0.50) MAPTMMP13DGAT2ROCK2ROCK1

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 MAPT 3797/4885MMP13 3608/4885MMP2 3369/4885

“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.