SCHEMBL8316021

SCHEMBL8316021

CCc1cc2c(s1)-n1c(C)nnc1N(Cc1ccc(C#N)cc1)N=C2c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
PTAFR P25105 3/20 0.35
BRD4 O60885 5/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
BRDT Q58F21 3/20 0.33
CYP11B2 P19099 2/20 0.33
CNR1 P21554 2/20 0.33
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.33
FNTA P49354 4/20 0.33
FNTB P49356 4/20 0.33

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
SCHEMBL21847097 0.92 OPRK1 (0.44) OPRK1PDE4DPTAFRBRD4CYP11B2
SCHEMBL8319731 0.88 OPRK1 (0.42) OPRK1PDE4DPTAFRBRD4BRDT
SCHEMBL8318026 0.88 OPRK1 (0.44) OPRK1PDE4DPTAFRBRD4BRDT
SCHEMBL8319571 0.87 OPRK1 (0.43) OPRK1PDE4DPTAFRBRD4BRDT
SCHEMBL8319634 0.85 OPRK1 (0.42) OPRK1PDE4DPTAFRBRD4BRDT
SCHEMBL8319632 0.84 OPRK1 (0.43) OPRK1PDE4DPTAFRBRD4
SCHEMBL8315565 0.82 BRD4 (0.38) PTAFRBRD4CCNCCDK8CYP11B2
SCHEMBL21847137 0.81 OPRK1 (0.41) OPRK1PDE4DPTAFRBRD4
SCHEMBL8319583 0.81 BRD4 (0.49) BRD4BRDT
SCHEMBL8322223 0.80 BRD4 (0.40) BRD4CCNCCDK8CYP11B2CNR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 US claimed
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 EP claimed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP claimed
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-05-06 US disclosed
EP-3640253-A1 6H-THIENO[2,3-E][1,2,4]TRIAZOLO[3,4-C][1,2,4]TRIAZEPINE DERIVATIVE AYUMI Pharmaceutical Corporation (JP) 2020-04-22 EP disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP 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 (2 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-20210130367-A1 6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE BRD4, BRD3, BRD2 OPRK1 1119/4885PDE4D 3651/4885PTAFR 3237/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 OPRK1 1119/4885PDE4D 3651/4885PTAFR 3237/4885

“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.