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
SCHEMBL104885 0.84 IRAK4 (0.33) IRAK4CNR2CNR1RAF1BRAF
SCHEMBL138966 0.84 TTK (0.42) IRAK4CNR2CNR1RAF1BRAF
SCHEMBL105318 0.84 TTK (0.37) IRAK4HTR2CSLC6A4
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.