SCHEMBL104530

SCHEMBL104530

CSc1nc(NC(=O)OC(C)(C)C)cn2c(Br)cnc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
TTK P33981 3/20 0.36
BCL2 P10415 1/20 0.33
MAPKAPK2 P49137 4/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
SCN9A Q15858 1/20 0.31
LCK P06239 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP17A1 P05093 1/20 0.31
ATR Q13535 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX7 Q99572 1/20 0.30
TSHR P16473 1/20 0.30
FSHR P23945 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL138656 0.83 TTK (0.40) TTKKMT2AALDH1A1RAB9A
SCHEMBL14507478 0.73 TTK (0.39) DYRK1ATTKMAPKAPK2
SCHEMBL104534 0.71 TTK (0.39) TTKKMT2AALDH1A1
SCHEMBL105091 0.70 TTK (0.39) TTKKMT2A
SCHEMBL29119856 0.70 SCN10A (0.46) TTKBCL2MAPKAPK2HDAC3HDAC8
SCHEMBL19762846 0.70 JAK1 (0.40) GSK3BDYRK1ABCL2HDAC3HDAC8
SCHEMBL8240976 0.70 MAPT (0.35) TTK
SCHEMBL8246951 0.70 TRPV3 (0.42) TTKKMT2AALDH1A1
SCHEMBL9005059 0.69 KDM4E (0.34) GSK3BDYRK1AMAPKAPK2KMT2ACYP17A1
SCHEMBL3317619 0.68 GSK3B (0.36) GSK3BDYRK1AHDAC3HDAC8NCOR2

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
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
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 GSK3B 2831/4885DYRK1A 678/4885TTK 6/4885

“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.