SCHEMBL1935669

SCHEMBL1935669

CC(C)COc1nc(N[C@H]2CC[C@H](N(C(=O)O)C(C)(C)C)CC2)c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SCN9A Q15858 2/20 0.35
ACACB O00763 3/20 0.34
XDH P47989 5/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PRKD3 O94806 1/20 0.33
MAPK8 P45983 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
PGR P06401 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
BLVRB P30043 1/20 0.33
TARBP2 Q15633 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL1935670 1.00 ROCK2 (0.37) ROCK2ROCK1SCN9AACACBXDH
SCHEMBL2179094 0.93 ROCK2 (0.37) ROCK2ROCK1ACACBIRAK4GPR119
SCHEMBL2179085 0.93 ROCK2 (0.37) ROCK2ROCK1ACACBIRAK4GPR119
SCHEMBL1936073 0.90 ROCK2 (0.39) ROCK2ROCK1ACACBIRAK4GPR119
SCHEMBL1936072 0.90 ROCK2 (0.39) ROCK2ROCK1ACACBIRAK4GPR119
SCHEMBL2176008 0.90 ROCK2 (0.38) ROCK2ROCK1ACACBIRAK4MAPK8
SCHEMBL2176013 0.90 ROCK2 (0.38) ROCK2ROCK1ACACBIRAK4MAPK8
SCHEMBL2180287 0.89 ROCK2 (0.38) ROCK2ROCK1IRAK4GPR119PDE4A
SCHEMBL2180285 0.89 ROCK2 (0.38) ROCK2ROCK1IRAK4GPR119PDE4A
SCHEMBL1937270 0.89 LMNA (0.41) ROCK2ROCK1ACACBIRAK4GPR119

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 1/4885SCN9A 3361/4885

“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.