SCHEMBL8316209

SCHEMBL8316209

CCc1cc2c(s1)-n1c(C)nnc1NN=C2c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.50
PDE4D Q08499 1/20 0.50
PTAFR P25105 11/20 0.38
MAPT P10636 1/20 0.34
BRD4 O60885 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
GABRA3 P34903 1/20 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
SCHEMBL8317008 0.89 OPRK1 (0.48) OPRK1PDE4DPTAFRBRD4BRD2
SCHEMBL8320646 0.86 BRD4 (0.36) OPRK1PDE4DPTAFRMAPTBRD4
SCHEMBL21914732 0.77 BRD4 (0.38) BRD4BRD2
SCHEMBL8928436 0.77 OPRK1 (0.77) OPRK1PDE4DPTAFRBRD4CYP3A4
SCHEMBL8323556 0.74 BRD4 (0.54) OPRK1BRD4BRD2BRD3GABRA1
SCHEMBL8322504 0.74 BRD4 (0.46) BRD4BRD2
SCHEMBL8319825 0.72 BRD4 (0.44) OPRK1MAPTBRD4L3MBTL1BRD2
SCHEMBL8325567 0.71 OPRK1 (0.46) OPRK1PDE4DPTAFRBRD4BRD2
SCHEMBL8316669 0.71 OPRK1 (0.61) OPRK1PDE4DBRD4BRD2BRD3
SCHEMBL11103275 0.71 PTAFR (0.47) OPRK1PDE4DPTAFRMAPTBRD4

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 3651/4885PTAFR 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.