SCHEMBL140708

SCHEMBL140708

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.37
KDR P35968 1/20 0.34
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
TYK2 P29597 1/20 0.32
CSNK2B P67870 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
FLT3 P36888 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
BRD4 O60885 1/20 0.30
PDE4B Q07343 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
SCHEMBL105076 0.88 TTK (0.34) TTKKDRFLT3
SCHEMBL135956 0.82 TTK (0.40) TTKMAPK8MAPK9MAPK10TYK2
SCHEMBL138685 0.82 KAT6A (0.31) MALT1
SCHEMBL140752 0.82 TTK (0.36) TTK
SCHEMBL140865 0.75 TTK (0.55) TTK
SCHEMBL104406 0.73 TTK (0.33) TTK
SCHEMBL104916 0.71 CNR1 (0.31) CDK9
SCHEMBL105132 0.71 TTK (0.37) TTKTYK2
SCHEMBL139379 0.69 MAPK14 (0.37) TTKIRAK4
SCHEMBL17182874 0.69 TTK (0.41) TTKCSNK2BCDK9PDE4B

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 6/4885KDR 411/4885MAPK8 535/4885

“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.