SCHEMBL178467

SCHEMBL178467

CCC(C)Nc1cc(CCC2CCOCC2)c2nccn2n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
TTK P33981 1/20 0.32
EGFR P00533 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL178460 0.80 TTK (0.36) PDE4DTTKIRAK4
SCHEMBL139379 0.78 MAPK14 (0.37) PDE4DTTKEGFRIRAK4
SCHEMBL104885 0.76 IRAK4 (0.33) PDE4DTTKEGFRIRAK4
SCHEMBL104841 0.61 TTK (0.38) TTKIRAK4
SCHEMBL105184 0.60 ERN1 (0.41) TTK
SCHEMBL140375 0.57 HPGD (0.34)
SCHEMBL16009577 0.56 TLR8 (0.36) PDE4D
SCHEMBL30224321 0.56 HPGD (0.32) IRAK4
SCHEMBL3475339 0.55 CYP2C9 (0.40)
SCHEMBL1565335 0.55 DAO (0.35)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4D 3509/4885TTK 6/4885EGFR 1367/4885

“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.