SCHEMBL1936697

SCHEMBL1936697

CC(C)(C)N(C(=O)O)C1CCC(Nc2ccc(C#N)c(Cl)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR65 Q8IYL9 1/20 0.38
CCNK O75909 5/20 0.36
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
CDK12 Q9NYV4 5/20 0.36
CTSK P43235 1/20 0.34
HCAR3 P49019 1/20 0.34
ACHE P22303 1/20 0.34
PGR P06401 3/20 0.33
NR3C2 P08235 3/20 0.33
AR P10275 3/20 0.33
DPP4 P27487 2/20 0.33
NR3C1 P04150 1/20 0.33
CCR6 P51684 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
F2R P25116 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
SCHEMBL1936695 1.00 GPR65 (0.38) GPR65CCNKCCNA2CDK2CDK12
SCHEMBL1937258 0.85 GAA (0.37) CCNKCCNA2CDK2CDK12CTSK
SCHEMBL1937259 0.85 GAA (0.37) CCNKCCNA2CDK2CDK12CTSK
SCHEMBL1935663 0.83 MAPK8 (0.37) CCNKCCNA2CDK2CDK12HCAR3
SCHEMBL1935664 0.83 MAPK8 (0.37) CCNKCCNA2CDK2CDK12HCAR3
SCHEMBL1937156 0.82 ACHE (0.41) ACHE
SCHEMBL1937158 0.82 ACHE (0.41) ACHE
SCHEMBL1936985 0.81 ACHE (0.40) ACHE
SCHEMBL1936984 0.81 ACHE (0.40) ACHE
SCHEMBL31042430 0.80 CTSK (0.45) GPR65CDK2CTSKHCAR3ACHE

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 GPR65 588/4885CCNK 3148/4885CCNA2 3023/4885

“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.