SCHEMBL137009

SCHEMBL137009

CN(c1nc(N(CC2CCCCC2)C(=O)O)cn2c(Br)cnc12)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PDE1A P54750 3/20 0.31
PDE1B Q01064 3/20 0.31
PDE1C Q14123 3/20 0.31
CDK1 P06493 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
SCHEMBL142503 0.88 PDE4B (0.34) PDE4B
SCHEMBL137019 0.82 TTK (0.38)
SCHEMBL137008 0.81 TTK (0.42) PDE4BKDM4EKDM4C
SCHEMBL143262 0.79 TTK (0.37)
SCHEMBL142624 0.73 TTK (0.34) PDE4B
SCHEMBL104709 0.71 TTK (0.37) PDE4B
SCHEMBL138207 0.63 TTK (0.58)
SCHEMBL12987310 0.62 CNR1 (0.32)
SCHEMBL9099464 0.61 LMNA (0.43) KDM4ELMNASMN1; SMN2KDM4C
SCHEMBL17182955 0.59 TTK (0.37)

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 PDE4B 2517/4885KDM4E 2800/4885LMNA 3669/4885

“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.