SCHEMBL104889

SCHEMBL104889

CC(C)(C)Nc1cc(N(CC2CCOCC2)C(=O)OC(C)(C)C)c2ncc(I)n2n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.42
CNR2 P34972 5/20 0.31
CNR1 P21554 4/20 0.31
VNN1 O95497 3/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL12927947 0.92 TTK (0.46) TTKCNR2
SCHEMBL105613 0.88 TTK (0.36) TTKCNR2CNR1
SCHEMBL104174 0.88 CDK9 (0.33) TTKCNR2CNR1CDK9
SCHEMBL10282480 0.88 TTK (0.32) TTKCNR2CNR1CDK9
SCHEMBL104960 0.83 TTK (0.41) TTKCNR2CNR1
SCHEMBL104841 0.82 TTK (0.38) TTKCNR2CNR1VNN1
SCHEMBL139927 0.82 TTK (0.47) TTKCNR2CNR1
SCHEMBL104135 0.82 TTK (0.68) TTK
SCHEMBL104290 0.81 TTK (0.30) TTK
SCHEMBL13193075 0.79 CNR2 (0.30) CNR2CNR1CDK9

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 6/4885CNR2 1750/4885CNR1 1153/4885

“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.