SCHEMBL104841

SCHEMBL104841

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
HTR4 Q13639 1/20 0.31
RAF1 P04049 5/20 0.31
BRAF P15056 5/20 0.31
CSF1R P07333 1/20 0.31
VNN1 O95497 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
SCHEMBL138966 0.91 TTK (0.42) TTKIRAK4CNR2CNR1RAF1
SCHEMBL104885 0.88 IRAK4 (0.33) TTKIRAK4CNR2CNR1HTR4
SCHEMBL104784 0.87 GPR119 (0.33) IRAK4CNR2CNR1RAF1BRAF
SCHEMBL105318 0.83 TTK (0.37) TTKIRAK4
SCHEMBL104889 0.82 TTK (0.42) TTKCNR2CNR1VNN1
SCHEMBL105028 0.81 OPRM1 (0.30)
SCHEMBL16018374 0.78 L3MBTL1 (0.38) CNR2CNR1
SCHEMBL104135 0.77 TTK (0.68) TTK
SCHEMBL139379 0.76 MAPK14 (0.37) TTKIRAK4HTR4RAF1BRAF
SCHEMBL105076 0.75 TTK (0.34) TTKCNR2CNR1

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 6/4885IRAK4 1082/4885CNR2 1750/4885

“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.