SCHEMBL104784

SCHEMBL104784

CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Cl)nn2ccnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CNR2 P34972 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ RAF1 P04049 4/20 0.30
▸ BRAF P15056 4/20 0.30
▸ SLC16A3 O15427 1/20 0.30
▸ SLC16A1 P53985 1/20 0.30
▸ MCTS1 Q9ULC4 1/20 0.30
▸ KAT7 O95251 1/20 0.30
▸ KAT6A Q92794 1/20 0.30
▸ KAT5 Q92993 1/20 0.30
▸ KAT8 Q9H7Z6 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL104841 0.87 TTK (0.38) IRAK4CNR2CNR1RAF1BRAF
SCHEMBL140375 0.86 HPGD (0.34) HPGDSMN1; SMN2RAF1BRAFKAT7
SCHEMBL104916 0.85 CNR1 (0.31) CNR2CNR1CDK9KAT7KAT6A
SCHEMBL105318 0.84 TTK (0.37) IRAK4HTR2CSLC6A4
SCHEMBL138966 0.84 TTK (0.42) IRAK4CNR2CNR1RAF1BRAF
SCHEMBL104885 0.84 IRAK4 (0.33) IRAK4CNR2CNR1RAF1BRAF
SCHEMBL105028 0.82 OPRM1 (0.30) —
SCHEMBL104174 0.82 CDK9 (0.33) GPR119CNR2MAPK1CNR1CDK9
SCHEMBL16018374 0.80 L3MBTL1 (0.38) CNR2CNR1HTR2CNPC1GAA
SCHEMBL24500852 0.77 P2RX3 (0.33) HPGDHTR2CSLC6A4

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 5 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
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
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 — — US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 — — WO 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 GPR119 171/4885IRAK4 1082/4885CNR2 1750/4885

“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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