SCHEMBL140031

SCHEMBL140031

CCC(C)Nc1cc(N(CC2CCOCC2)C(=O)O)c2ncc(I)n2n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.38
▸ MAPK14 Q16539 2/20 0.36
▸ HCAR3 P49019 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ GCK P35557 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ HTR4 Q13639 1/20 0.31

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
SCHEMBL105613 0.89 TTK (0.36) TTKMAPK14EGFRPDE4BPDE4D
SCHEMBL139379 0.83 MAPK14 (0.37) TTKMAPK14HCAR3EGFRPDE4D
SCHEMBL139927 0.83 TTK (0.47) TTKMAPK14
SCHEMBL135511 0.81 MALT1 (0.36) TTK
SCHEMBL138087 0.81 TTK (0.63) TTK
SCHEMBL178460 0.78 TTK (0.36) TTKPDE4DGCK
SCHEMBL137816 0.77 TTK (0.45) TTK
SCHEMBL104889 0.77 TTK (0.42) TTK
SCHEMBL137237 0.75 TTK (0.33) TTK
SCHEMBL12927947 0.74 TTK (0.46) 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 6/4885MAPK14 1421/4885HCAR3 875/4885

“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.

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