SCHEMBL104174

SCHEMBL104174

CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Cl)nn2c(I)cnc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.33
TTK P33981 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPK1 P28482 1/20 0.32
MALT1 Q9UDY8 2/20 0.32
ERN1 O75460 1/20 0.31
NR3C1 P04150 1/20 0.31
CNR2 P34972 3/20 0.30
CNR1 P21554 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KAT7 O95251 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT8 Q9H7Z6 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
SCHEMBL10282480 0.89 TTK (0.32) CDK9TTKGPR119CNR2CNR1
SCHEMBL104889 0.88 TTK (0.42) CDK9TTKCNR2CNR1
SCHEMBL135511 0.86 MALT1 (0.36) CDK9TTKGPR119MALT1ERN1
SCHEMBL105613 0.85 TTK (0.36) TTKCNR2CNR1
SCHEMBL12927947 0.85 TTK (0.46) TTKCNR2CYP3A4CYP2C9CYP2C19
SCHEMBL104960 0.85 TTK (0.41) TTKGPR119CNR2CNR1
SCHEMBL104290 0.83 TTK (0.30) TTK
SCHEMBL104916 0.82 CNR1 (0.31) CDK9CNR2CNR1KAT7KAT6A
SCHEMBL104784 0.82 GPR119 (0.33) CDK9GPR119MAPK1CNR2CNR1
SCHEMBL104922 0.80 TTK (0.57) 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 4 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
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 CDK9 1120/4885TTK 6/4885GPR119 171/4885

“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.