SCHEMBL104885

SCHEMBL104885

CCC(C)Nc1cc(N(CC2CCOCC2)C(=O)OC(C)(C)C)c2nccn2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.33
MAPK14 Q16539 2/20 0.33
TTK P33981 1/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
HTR4 Q13639 1/20 0.32
PDE4D Q08499 2/20 0.31
EGFR P00533 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
GCK P35557 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
SCHEMBL139379 0.90 MAPK14 (0.37) IRAK4MAPK14TTKHTR4PDE4D
SCHEMBL104841 0.88 TTK (0.38) IRAK4TTKCNR2CNR1HTR4
SCHEMBL138966 0.85 TTK (0.42) IRAK4TTKCNR2CNR1RAF1
SCHEMBL104784 0.84 GPR119 (0.33) IRAK4CNR2CNR1RAF1BRAF
SCHEMBL105613 0.84 TTK (0.36) MAPK14TTKCNR2CNR1PDE4D
SCHEMBL105318 0.80 TTK (0.37) IRAK4TTK
SCHEMBL105028 0.78 OPRM1 (0.30)
SCHEMBL105620 0.78 TTK (0.59) TTK
SCHEMBL178467 0.76 PDE4D (0.34) IRAK4TTKPDE4DEGFR
SCHEMBL16018374 0.76 L3MBTL1 (0.38) CNR2CNR1

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 4 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
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 IRAK4 1082/4885MAPK14 1421/4885TTK 6/4885

“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.