SCHEMBL1937270

SCHEMBL1937270

CC(C)Oc1nc(NC2CCC(N(C(=O)O)C(C)(C)C)CC2)c(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GPR6 P46095 9/20 0.33
JAK2 O60674 2/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
KCNH2 Q12809 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
CDK6 Q00534 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL1937269 1.00 LMNA (0.41) LMNAROCK2ROCK1GPR6JAK2
SCHEMBL1937673 0.90 ROCK2 (0.47) ROCK2ROCK1GPR6JAK2TYK2
SCHEMBL1937675 0.90 ROCK2 (0.47) ROCK2ROCK1GPR6JAK2TYK2
SCHEMBL1935670 0.89 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR119ACACB
SCHEMBL1935669 0.89 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR119ACACB
SCHEMBL1936073 0.87 ROCK2 (0.39) ROCK2ROCK1GPR6JAK2TYK2
SCHEMBL1936072 0.87 ROCK2 (0.39) ROCK2ROCK1GPR6JAK2TYK2
SCHEMBL2179085 0.87 ROCK2 (0.37) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL2179094 0.87 ROCK2 (0.37) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL2176013 0.86 ROCK2 (0.38) ROCK2ROCK1GPR6IRAK4GPR119

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 LMNA 1709/4885ROCK2 2/4885ROCK1 1/4885

“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.