SCHEMBL16620510

SCHEMBL16620510

O=C(O)NC1CCN(c2ccnc(Cl)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.53
CDK8 P49336 10/20 0.53
HRH4 Q9H3N8 7/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TRPV1 Q8NER1 2/20 0.46
BTK Q06187 1/20 0.45

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
SCHEMBL27834290 1.00 CCNC (0.53) CCNCCDK8HRH4HRH3TRPV1
SCHEMBL18228251 1.00 CCNC (0.53) CCNCCDK8HRH4HRH3TRPV1
SCHEMBL15413225 0.93 BTK (0.53) CCNCCDK8HRH4TRPV1BTK
SCHEMBL4334757 0.92 TRPV1 (0.51) CCNCCDK8TRPV1
SCHEMBL28788119 0.89 TRPV1 (0.47) CCNCCDK8TRPV1BTK
SCHEMBL20445941 0.85 CCNC (0.57) CCNCCDK8HRH4HRH3BTK
SCHEMBL1588740 0.83 JAK3 (0.55) BTK
SCHEMBL28219652 0.83 JAK3 (0.55) BTK
SCHEMBL16629090 0.83 JAK3 (0.55) BTK
SCHEMBL16620125 0.82 CCNC (0.67) CCNCCDK8HRH4HRH3

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-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
US-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE, INC. (JP) 2018-09-27 US disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP disclosed
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO disclosed
US-20150045255-A1 Endometrial Phase or Endometrial Cancer Biomarkers WALFISH, PAUL (CA) 2015-02-12 US 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-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 SUV39H2, SUV39H1, EZH1 CCNC 2670/4885CDK8 1225/4885HRH4 511/4885

“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.