SCHEMBL8317008

SCHEMBL8317008

CCc1cc2c(s1)-n1c(C)nnc1NN=C2c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
BRD4 O60885 17/20 0.38
PTAFR P25105 2/20 0.36
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
BRDT Q58F21 3/20 0.35
DNER Q8NFT8 1/20 0.34

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
SCHEMBL8316209 0.89 OPRK1 (0.50) OPRK1PDE4DBRD4PTAFRBRD2
SCHEMBL21847194 0.78 BRD4 (0.39) OPRK1BRD4BRD2BRD3BRDT
SCHEMBL8878960 0.78 OPRK1 (0.74) OPRK1PDE4DBRD4PTAFR
SCHEMBL8879511 0.77 OPRK1 (0.48) OPRK1PDE4DBRD4BRD2BRD3
SCHEMBL8321051 0.75 BRD4 (0.53) BRD4BRD2BRD3BRDTDNER
SCHEMBL8320646 0.75 BRD4 (0.36) OPRK1PDE4DBRD4PTAFRBRD2
SCHEMBL8317643 0.74 BRD4 (0.43) OPRK1BRD4BRD2BRD3
SCHEMBL8318668 0.73 BRD4 (0.59) OPRK1BRD4BRD2BRD3
SCHEMBL8319571 0.73 OPRK1 (0.43) OPRK1PDE4DBRD4PTAFRBRD2
SCHEMBL8878157 0.72 BRD4 (0.67) BRD4BRD2BRD3BRDTDNER

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 10 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
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
CN-1227555-A Cytokine production inhibitors triazepine compounds, and intermediates thereof JAPAN TOBACCO INC (JP) 1999-09-01 CN disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 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 3651/4885BRD4 1/4885
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 3651/4885BRD4 1/4885

“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.