SCHEMBL137008

SCHEMBL137008

O=C(O)N(CC1CCCCC1)c1cn2c(Br)cnc2c(NCC2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.42
PDE5A O76074 6/20 0.37
ADORA3 P0DMS8 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
PDE4B Q07343 1/20 0.33
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL104709 0.88 TTK (0.37) TTKPDE5AADORA3JAK2JAK3
SCHEMBL137018 0.82 TTK (0.54) TTK
SCHEMBL137009 0.81 PDE4B (0.35) KDM4CPDE4BKDM4E
SCHEMBL143262 0.77 TTK (0.37) TTK
SCHEMBL142625 0.72 TTK (0.48) TTK
SCHEMBL104687 0.71 TTK (0.61) TTK
SCHEMBL178459 0.71 TTK (0.68) TTK
SCHEMBL142503 0.70 PDE4B (0.34) PDE4B
SCHEMBL8240667 0.66 TTK (0.39) TTKADORA3ALDH1A1
SCHEMBL137019 0.65 TTK (0.38) 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 6/4885PDE5A 2689/4885ADORA3 1523/4885

“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.