SCHEMBL138330

SCHEMBL138330

CC(C)CN(C(=O)O)c1cc(OC2CCCC2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)nnc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.46
HSD11B1 P28845 1/20 0.37
RIPK2 O43353 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL104404 0.91 TTK (0.43) TTKHSD11B1RIPK2HRH3
SCHEMBL178433 0.91 TTK (0.46) TTKHSD11B1RIPK2HRH3
SCHEMBL138334 0.85 TTK (0.56) TTK
SCHEMBL105940 0.83 TTK (0.54) TTK
SCHEMBL138206 0.81 TTK (0.52) TTKHSD11B1RIPK2HRH3
SCHEMBL105494 0.80 TTK (0.52) TTK
SCHEMBL10282606 0.79 TTK (0.56) TTK
SCHEMBL105513 0.75 TTK (0.75) TTK
SCHEMBL140937 0.72 LNPEP (0.34)
SCHEMBL135510 0.72 TTK (0.73) TTK

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
EP-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 EP disclosed
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 6/4885HSD11B1 741/4885RIPK2 472/4885

“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.