SCHEMBL8317069

SCHEMBL8317069

Cc1cc2c(s1)-n1c(C)nnc1N(Cc1ccncc1)N=C2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTAFR P25105 12/20 0.34
OPRK1 P41145 2/20 0.34
PDE4D Q08499 1/20 0.34
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
LMNA P02545 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL8318376 0.90 P2RX7 (0.39) BRD4CYP3A4CYP2C9CYP2C19PTAFR
SCHEMBL8318869 0.90 BRD4 (0.47) BRD4PTAFROPRK1PDE4DBRD2
SCHEMBL8325567 0.89 OPRK1 (0.46) BRD4CYP1A2CYP3A4CYP2C9GAA
SCHEMBL8317642 0.88 OXTR (0.40) BRD4GAABRD2BRD3LMNA
SCHEMBL8317576 0.87 BRD4 (0.39) BRD4CYP1A2CYP3A4CYP2C9PTAFR
SCHEMBL8315565 0.86 BRD4 (0.38) BRD4PTAFR
SCHEMBL8322696 0.84 BRD4 (0.39) BRD4PTAFROPRK1PDE4D
SCHEMBL8319973 0.84 BRD4 (0.39) BRD4GAAPTAFROPRK1PDE4D
SCHEMBL8320709 0.83 BRD4 (0.36) BRD4PTAFROPRK1PDE4D
SCHEMBL21847152 0.83 BRD4 (0.35) BRD4CYP1A2BRD2BRD3

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 12 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
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 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 BRD4 1/4885CYP1A2 3264/4885CYP3A4 2717/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 BRD4 1/4885CYP1A2 3264/4885CYP3A4 2717/4885

“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.