SCHEMBL4891729

SCHEMBL4891729

Nc1n[nH]c2cc(-c3ccc(C(=O)NCc4cccc(O)c4)o3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.46
PRKACG P22612 2/20 0.46
PRKACB P22694 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
KLKB1 P03952 1/20 0.45
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
ABL1 P00519 4/20 0.43
BCR P11274 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.42
SRC P12931 1/20 0.41
PDPK1 O15530 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4888993 0.92 ROCK2 (0.49) PRKACAPRKACGPRKACBALDH1A1KDM4E
SCHEMBL4893601 0.89 PRKACA (0.60) PRKACAPRKACGPRKACBALDH1A1KDM4E
SCHEMBL4894925 0.82 MAPK1 (0.54) ALDH1A1KDM4ELMNAHPGDROCK2
SCHEMBL4889529 0.81 ROCK2 (0.63) PRKACAPRKACGPRKACBALDH1A1KDM4E
SCHEMBL4893613 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAHPGDROCK2
SCHEMBL4897133 0.80 ROCK2 (0.42) PRKACAPRKACGPRKACBKLKB1ROCK2
SCHEMBL4893495 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAHPGDROCK2
SCHEMBL4895585 0.78 ALDH1A1 (0.43) PRKACAPRKACGPRKACBALDH1A1KDM4E
SCHEMBL4894817 0.78 ROCK2 (0.53) PRKACAPRKACGPRKACBALDH1A1KDM4E
SCHEMBL12907390 0.76 JAK2 (0.52) ALDH1A1KDM4EHPGDABL1BCR

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.