SCHEMBL137874

SCHEMBL137874

CCOC(=O)c1cn2c(Br)cnc2c(SC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.38
POLB P06746 2/20 0.38
ADORA2A P29274 1/20 0.38
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
AEBP2 Q6ZN18 1/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
TTK P33981 1/20 0.36

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
SCHEMBL31244491 0.85 GAA (0.48) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL105081 0.83 TTK (0.40) ALDH1A1TTKRAB9A
SCHEMBL31285477 0.82 GAA (0.46) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL10282184 0.82 GAA (0.46) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL104534 0.82 TTK (0.39) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL105091 0.81 TTK (0.39) KDM4EMEN1KMT2ATTK
SCHEMBL31285458 0.81 GAA (0.44) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL14507509 0.75 KDM4E (0.54) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL15717521 0.74 GAA (0.50) GAAKDM4EALDH1A1HPGDCYP1A2
SCHEMBL16277642 0.73 TP53 (0.48) GAAKDM4EALDH1A1HPGDPOLB

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 GAA 4229/4885KDM4E 2800/4885ALDH1A1 3128/4885

“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.