SCHEMBL1937673

SCHEMBL1937673

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
GAA P10253 1/20 0.39
NSD2 O96028 2/20 0.35
PIK3CD O00329 3/20 0.34
GPR6 P46095 5/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CSNK2A1 P68400 1/20 0.32
KDM4E B2RXH2 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 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
SCHEMBL1937675 1.00 ROCK2 (0.47) ROCK2ROCK1GAANSD2PIK3CD
SCHEMBL1936072 0.90 ROCK2 (0.39) ROCK2ROCK1PIK3CDGPR6IRAK4
SCHEMBL1937270 0.90 LMNA (0.41) ROCK2ROCK1GPR6IRAK4KCNH2
SCHEMBL1937269 0.90 LMNA (0.41) ROCK2ROCK1GPR6IRAK4KCNH2
SCHEMBL1936073 0.90 ROCK2 (0.39) ROCK2ROCK1PIK3CDGPR6IRAK4
SCHEMBL2176008 0.89 ROCK2 (0.38) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL2176013 0.89 ROCK2 (0.38) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL1937249 0.89 GAA (0.39) ROCK2ROCK1GAANSD2PIK3CD
SCHEMBL1937247 0.89 GAA (0.39) ROCK2ROCK1GAANSD2PIK3CD
SCHEMBL2180287 0.88 ROCK2 (0.38) ROCK2ROCK1GPR6IRAK4KCNH2

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 1/4885GAA 1469/4885

“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.