SCHEMBL105076

SCHEMBL105076

CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(NC2CCCC2)nn2cnnc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.34
MAPK1 P28482 1/20 0.32
CNR1 P21554 5/20 0.32
CNR2 P34972 5/20 0.32
KDR P35968 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
KAT7 O95251 1/20 0.31
FLT3 P36888 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
SCHEMBL140708 0.88 TTK (0.37) TTKKDRFLT3
SCHEMBL104916 0.85 CNR1 (0.31) CNR1CNR2KAT7
SCHEMBL104406 0.85 TTK (0.33) TTKCNR1CNR2
SCHEMBL105132 0.84 TTK (0.37) TTKMAPK1CNR1CNR2HTR2C
SCHEMBL104917 0.77 TTK (0.51) TTK
SCHEMBL104841 0.75 TTK (0.38) TTKCNR1CNR2
SCHEMBL17190177 0.73 TTK (0.40) TTKMAPK1
SCHEMBL17190179 0.73 TTK (0.39) TTKMAPK1
SCHEMBL104885 0.72 IRAK4 (0.33) TTKCNR1CNR2
SCHEMBL138966 0.72 TTK (0.42) TTKCNR1CNR2

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 3 patents. 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
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 WO 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 6/4885MAPK1 1559/4885CNR1 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.