SCHEMBL138323

SCHEMBL138323

CN(c1cc(NC2CCCC2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)nnc12)C1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.52
CYP3A4 P08684 1/20 0.40
PIM1 P11309 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL138206 0.85 TTK (0.52) TTK
SCHEMBL140865 0.84 TTK (0.55) TTKCYP3A4
SCHEMBL104917 0.82 TTK (0.51) TTKCYP3A4
SCHEMBL105077 0.80 TTK (0.76) TTKCYP3A4
SCHEMBL139157 0.73 TTK (0.62) TTK
SCHEMBL135282 0.73 TTK (0.58) TTK
SCHEMBL137088 0.72 TTK (0.71) TTK
SCHEMBL136850 0.72 TTK (0.53) TTK
SCHEMBL142638 0.71 TTK (0.69) TTK
SCHEMBL138334 0.71 TTK (0.56) 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 6/4885CYP3A4 1394/4885PIM1 4289/4885

“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.