SCHEMBL103804

SCHEMBL103804

CSc1nccn2ccnc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 3/20 0.33
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TNKS O95271 1/20 0.30
KMT2A Q03164 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
SCHEMBL13155401 0.77 L3MBTL1 (0.42) NUDT1L3MBTL1TNKSKMT2A
SCHEMBL15066160 0.77 NUDT1 (0.31) NUDT1
SCHEMBL104884 0.75 HTR2C (0.47) NUDT1L3MBTL1TNKS
SCHEMBL10282182 0.75 NUDT1 (0.41) NUDT1L3MBTL1TNKS
SCHEMBL13693180 0.75 L3MBTL1 (0.38) NUDT1L3MBTL1TNKS
SCHEMBL8240995 0.72 L3MBTL1 (0.35) NUDT1L3MBTL1
SCHEMBL104697 0.72 L3MBTL1 (0.35) NUDT1L3MBTL1HCRTR2KMT2A
SCHEMBL22641191 0.71 NUDT1 (0.41) NUDT1L3MBTL1KMT2A
SCHEMBL10250872 0.71 PDE10A (0.34) HTR6
SCHEMBL14507510 0.70 PTGS1 (0.40) L3MBTL1HTR6TNKS

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 6 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
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 NUDT1 3935/4885L3MBTL1 4139/4885HTR6 2727/4885

“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.