SCHEMBL135946

SCHEMBL135946

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.36
ACACB O00763 3/20 0.35
HRH3 Q9Y5N1 5/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
PDE6D O43924 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL139893 0.83 CACNB4 (0.32)
SCHEMBL105894 0.83 CACNB4 (0.33)
SCHEMBL104404 0.78 TTK (0.43) TTKHRH3MEN1KMT2A
SCHEMBL104406 0.74 TTK (0.33) TTK
SCHEMBL140937 0.72 LNPEP (0.34) ACACB
SCHEMBL138330 0.68 TTK (0.46) TTKHRH3
SCHEMBL105015 0.68 TTK (0.67) TTK
SCHEMBL105492 0.68 CACNB4 (0.34)
SCHEMBL178433 0.65 TTK (0.46) TTKHRH3
SCHEMBL105107 0.65 ITGB1 (0.33) KMT2A

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 4342/4885HRH3 634/4885

“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.