SCHEMBL2179809

SCHEMBL2179809

CCOc1nc(NC2CCC(N(C(=O)O)C(C)(C)C)CC2)c(C)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.34
RPTOR Q8N122 2/20 0.34
MLST8 Q9BVC4 2/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
CSNK2A1 P68400 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
IL1B P01584 1/20 0.33
FER P16591 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSNK2A2 P19784 1/20 0.33
HIPK1 Q86Z02 1/20 0.33

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
SCHEMBL2179806 1.00 MTOR (0.34) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL1935533 0.92 IRAK4 (0.33) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL1935537 0.92 IRAK4 (0.33) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL1936072 0.90 ROCK2 (0.39) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL1936073 0.90 ROCK2 (0.39) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL2180970 0.90 KDM4E (0.35) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL2179225 0.90 IRAK4 (0.33) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL2179229 0.90 IRAK4 (0.33) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL2180968 0.90 KDM4E (0.35) ALDH1A1KDM4EHSD17B10MAPTCSNK2A1
SCHEMBL1936931 0.84 ROCK2 (0.42) IRAK4

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 1 patent. 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

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 MTOR 125/4885RPTOR 502/4885MLST8 1747/4885

“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.