SCHEMBL141127

SCHEMBL141127

CC(C)CN(C(=O)O)c1cc(OC2CCCC2)nn2c(I)nnc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.33
RORC P51449 1/20 0.30
ACACB O00763 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL105492 0.89 CACNB4 (0.34) PDE4B
SCHEMBL137431 0.82 TTK (0.39)
SCHEMBL140937 0.81 LNPEP (0.34) LNPEPRORCACACBPDE4APDE4B
SCHEMBL141128 0.74 ACACB (0.31) LNPEPACACB
SCHEMBL105894 0.71 CACNB4 (0.33)
SCHEMBL104404 0.70 TTK (0.43)
SCHEMBL178433 0.68 TTK (0.46)
SCHEMBL137816 0.67 TTK (0.45) LNPEP
SCHEMBL139893 0.64 CACNB4 (0.32)
SCHEMBL138331 0.64 TTK (0.38) ACACB

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 LNPEP 4730/4885RORC 190/4885ACACB 4342/4885

“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.