SCHEMBL139126

SCHEMBL139126

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.32
▸ KCNQ3 O43525 2/20 0.32
▸ KCNQ2 O43526 2/20 0.32
▸ LOX P28300 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL105318 0.90 TTK (0.37) TTK
SCHEMBL140752 0.85 TTK (0.36) TTK
SCHEMBL138064 0.84 OPRM1 (0.33) —
SCHEMBL137816 0.82 TTK (0.45) TTKLNPEP
SCHEMBL140375 0.82 HPGD (0.34) CSF1R
SCHEMBL137431 0.80 TTK (0.39) TTK
SCHEMBL457318 0.78 LNPEP (0.34) LNPEPKCNQ3KCNQ2LOXLOXL2
SCHEMBL135510 0.76 TTK (0.73) TTK
SCHEMBL139379 0.76 MAPK14 (0.37) TTKCSF1R
SCHEMBL105028 0.75 OPRM1 (0.30) —

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 6/4885LNPEP 4730/4885KCNQ3 2319/4885

“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.

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