SCHEMBL1935664

SCHEMBL1935664

CCOc1nc(NC2CCC(N(C(=O)O)C(C)(C)C)CC2)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.37
MAPK9 P45984 5/20 0.37
MAPK10 P53779 3/20 0.37
CCNK O75909 7/20 0.37
CDK12 Q9NYV4 7/20 0.37
CCNA2 P20248 6/20 0.37
CDK2 P24941 6/20 0.37
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SSTR4 P31391 1/20 0.34
MAP4K4 O95819 2/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K2 Q12851 1/20 0.34
PKN2 Q16513 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL1935663 1.00 MAPK8 (0.37) MAPK8MAPK9MAPK10CCNKCDK12
SCHEMBL1937258 0.89 GAA (0.37) CCNKCDK12CCNA2CDK2GAA
SCHEMBL1937259 0.89 GAA (0.37) CCNKCDK12CCNA2CDK2GAA
SCHEMBL1938097 0.83 SYK (0.40) MAPK8MAPK9CDK2MAP4K4HCAR3
SCHEMBL1938096 0.83 SYK (0.40) MAPK8MAPK9CDK2MAP4K4HCAR3
SCHEMBL2179809 0.83 MTOR (0.34) L3MBTL1KDM4EMAPTTDP1STK17A
SCHEMBL2179806 0.83 MTOR (0.34) L3MBTL1KDM4EMAPTTDP1STK17A
SCHEMBL1936695 0.83 GPR65 (0.38) CCNKCDK12CCNA2CDK2DPP4
SCHEMBL1936697 0.83 GPR65 (0.38) CCNKCDK12CCNA2CDK2DPP4
SCHEMBL3631690 0.83 MAPK8 (0.41) MAPK8MAPK9MAPK10GAAL3MBTL1

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 MAPK8 717/4885MAPK9 802/4885MAPK10 484/4885

“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.