SCHEMBL105318

SCHEMBL105318

CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(OC2CCCCC2)nn2ccnc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.31
HTR2C P28335 2/20 0.30
SLC6A4 P31645 2/20 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
SCHEMBL139126 0.90 TTK (0.41) TTK
SCHEMBL105028 0.86 OPRM1 (0.30)
SCHEMBL104406 0.86 TTK (0.33) TTK
SCHEMBL104784 0.84 GPR119 (0.33) IRAK4HTR2CSLC6A4
SCHEMBL104960 0.84 TTK (0.41) TTK
SCHEMBL104841 0.83 TTK (0.38) TTKIRAK4
SCHEMBL17425405 0.82 JAK2 (0.32) HTR2CSLC6A4
SCHEMBL104909 0.82 TTK (0.36) TTK
SCHEMBL104885 0.80 IRAK4 (0.33) TTKIRAK4
SCHEMBL138966 0.80 TTK (0.42) TTKIRAK4

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
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 6/4885IRAK4 1082/4885HTR2C 3544/4885

“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.