SCHEMBL139927

SCHEMBL139927

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 7/20 0.47
CNR2 P34972 9/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CNR1 P21554 2/20 0.31
RORC P51449 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PIM1 P11309 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK14 Q16539 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
SCHEMBL12927947 0.91 TTK (0.46) TTKCNR2CYP2C19RORCCYP3A4
SCHEMBL140031 0.83 TTK (0.38) TTKMAPK14
SCHEMBL104889 0.82 TTK (0.42) TTKCNR2CNR1
SCHEMBL137808 0.82 TTK (0.73) TTK
SCHEMBL135511 0.80 MALT1 (0.36) TTK
SCHEMBL105613 0.76 TTK (0.36) TTKCNR2CNR1MAPK14
SCHEMBL138966 0.76 TTK (0.42) TTKCNR2CYP2C19CNR1CYP3A4
SCHEMBL137816 0.76 TTK (0.45) TTKCYP3A4
SCHEMBL10282480 0.75 TTK (0.32) TTKCNR2CNR1
SCHEMBL104174 0.75 CDK9 (0.33) TTKCNR2CYP1A2CYP2C19CNR1

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 6/4885CNR2 1750/4885CYP1A2 1779/4885

“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.