SCHEMBL139893

SCHEMBL139893

CC(CI)CN(C(=O)OC(C)(C)C)c1cc(OC2CCCC2)nn2cnnc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNB4 O00305 1/20 0.32
▸ CACNA1A O00555 1/20 0.32
▸ CACNA1G O43497 1/20 0.32
▸ CACNG3 O60359 1/20 0.32
▸ CACNA1F O60840 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32
▸ CACNG7 P62955 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ CACNB1 Q02641 1/20 0.32
▸ CACNG1 Q06432 1/20 0.32
▸ CACNB2 Q08289 1/20 0.32
▸ CACNA1S Q13698 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ CACNA1E Q15878 1/20 0.32
▸ CACNA2D4 Q7Z3S7 1/20 0.32
▸ CACNA2D3 Q8IZS8 1/20 0.32
▸ CACNG8 Q8WXS5 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
SCHEMBL105894 0.91 CACNB4 (0.33) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL141128 0.89 ACACB (0.31) —
SCHEMBL105492 0.77 CACNB4 (0.34) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL105107 0.72 ITGB1 (0.33) —
SCHEMBL140752 0.70 TTK (0.36) —
SCHEMBL17425405 0.69 JAK2 (0.32) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL104404 0.67 TTK (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL105318 0.67 TTK (0.37) —
SCHEMBL105076 0.66 TTK (0.34) —
SCHEMBL26741612 0.62 CACNB4 (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 CACNB4 1292/4885CACNA1A 2870/4885CACNA1G 2069/4885

“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.

Send feedback