SCHEMBL1936985

SCHEMBL1936985

CC(C)(C)N(C(=O)O)C1CCC(Nc2nc(Cl)c(C#N)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
KHK P50053 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MELK Q14680 1/20 0.35
GPR6 P46095 9/20 0.33
KCNH2 Q12809 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
JAK2 O60674 2/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
BCHE P06276 1/20 0.32
BTK Q06187 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
SCHEMBL1936984 1.00 ACHE (0.40) ACHEKHKROCK2ROCK1MELK
SCHEMBL1937158 0.90 ACHE (0.41) ACHEMELKGPR6IRAK4BCHE
SCHEMBL1937156 0.90 ACHE (0.41) ACHEMELKGPR6IRAK4BCHE
SCHEMBL1936927 0.88 ROCK2 (0.35) ACHEROCK2ROCK1MELKGPR6
SCHEMBL1936926 0.88 ROCK2 (0.35) ACHEROCK2ROCK1MELKGPR6
SCHEMBL1937673 0.86 ROCK2 (0.47) ROCK2ROCK1GPR6KCNH2IRAK4
SCHEMBL1937675 0.86 ROCK2 (0.47) ROCK2ROCK1GPR6KCNH2IRAK4
SCHEMBL1937270 0.84 LMNA (0.41) ROCK2ROCK1GPR6KCNH2IRAK4
SCHEMBL1936073 0.84 ROCK2 (0.39) ACHEROCK2ROCK1GPR6IRAK4
SCHEMBL1937269 0.84 LMNA (0.41) ROCK2ROCK1GPR6KCNH2IRAK4

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 3 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
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO 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 ACHE 2432/4885KHK 2187/4885ROCK2 2/4885

“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.