SCHEMBL178460

SCHEMBL178460

CCC(C)Nc1cc(CCC2CCOCC2)c2ncc(I)n2n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.36
PDE4D Q08499 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.30
GCK P35557 1/20 0.30

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
SCHEMBL178467 0.80 PDE4D (0.34) TTKPDE4DIRAK4
SCHEMBL104889 0.62 TTK (0.42) TTK
SCHEMBL139927 0.62 TTK (0.47) TTK
SCHEMBL457166 0.62 TTK (0.42) TTK
SCHEMBL139379 0.61 MAPK14 (0.37) TTKPDE4DIRAK4
SCHEMBL10282480 0.60 TTK (0.32) TTK
SCHEMBL104174 0.60 CDK9 (0.33) TTK
SCHEMBL135511 0.58 MALT1 (0.36) TTK
SCHEMBL17918651 0.55 ALDH1A1 (0.41) IRAK4
SCHEMBL19936066 0.53 SIGMAR1 (0.40) PDE4D

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TTK 6/4885PDE4D 3509/4885IRAK4 1082/4885

“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.