SCHEMBL1936072

SCHEMBL1936072

CCOc1nc(N[C@H]2CC[C@H](N(C(=O)O)C(C)(C)C)CC2)c(F)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
CSNK2A1 P68400 1/20 0.33
GPR6 P46095 5/20 0.33
GPR119 Q8TDV5 1/20 0.33
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
ACACB O00763 2/20 0.32
PIK3CD O00329 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH1 P35367 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL1936073 1.00 ROCK2 (0.39) ROCK2ROCK1KDM4EMAPTIRAK4
SCHEMBL2176008 0.92 ROCK2 (0.38) ROCK2ROCK1KDM4EMAPTIRAK4
SCHEMBL2176013 0.92 ROCK2 (0.38) ROCK2ROCK1KDM4EMAPTIRAK4
SCHEMBL2180285 0.91 ROCK2 (0.38) ROCK2ROCK1IRAK4GPR6GPR119
SCHEMBL2180287 0.91 ROCK2 (0.38) ROCK2ROCK1IRAK4GPR6GPR119
SCHEMBL1935670 0.90 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR119ACACB
SCHEMBL1935669 0.90 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR119ACACB
SCHEMBL2179085 0.90 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR6GPR119
SCHEMBL2179094 0.90 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR6GPR119
SCHEMBL2179809 0.90 MTOR (0.34) KDM4EMAPTIRAK4CSNK2A1CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885KDM4E 789/4885

“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.