SCHEMBL138331

SCHEMBL138331

CC(Cc1ccc(C(=O)NC2CC2)cc1)CN(C(=O)O)c1cc(OC2CCCC2)nn2cnnc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.38
ACACB O00763 4/20 0.38
PDE6D O43924 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL135946 0.91 TTK (0.36) TTKACACBPDE6DKMT2AMEN1
SCHEMBL140937 0.81 LNPEP (0.34) ACACBKDR
SCHEMBL139893 0.72 CACNB4 (0.32)
SCHEMBL105894 0.71 CACNB4 (0.33)
SCHEMBL178433 0.68 TTK (0.46) TTKHRH3
SCHEMBL104404 0.68 TTK (0.43) TTKKMT2AMEN1HRH3KDR
SCHEMBL138334 0.67 TTK (0.56) TTK
SCHEMBL135510 0.64 TTK (0.73) TTK
SCHEMBL104406 0.64 TTK (0.33) TTK
SCHEMBL105940 0.64 TTK (0.54) TTK

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 6/4885ACACB 4342/4885PDE6D 2263/4885

“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.