SCHEMBL8315565

SCHEMBL8315565

Cc1cc2c(s1)-n1c(C)nnc1N(Cc1ccc(C#N)cc1)N=C2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP19A1 P11511 3/20 0.38
MAPK1 P28482 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PTAFR P25105 3/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL21847097 0.90 OPRK1 (0.44) BRD4CYP11B1CYP11B2CYP19A1MAPK1
SCHEMBL8318869 0.88 BRD4 (0.47) BRD4PTAFRMAPT
SCHEMBL8317642 0.87 OXTR (0.40) BRD4CYP11B1CYP11B2MAPK1MAPT
SCHEMBL8317069 0.86 BRD4 (0.41) BRD4PTAFR
SCHEMBL8317576 0.84 BRD4 (0.39) BRD4PTAFR
SCHEMBL8314769 0.83 BRD4 (0.46) BRD4CYP11B1CYP11B2CYP19A1MAPK1
SCHEMBL8318376 0.83 P2RX7 (0.39) BRD4PTAFR
SCHEMBL8319973 0.83 BRD4 (0.39) BRD4PTAFR
SCHEMBL8322696 0.83 BRD4 (0.39) BRD4PTAFR
SCHEMBL8321540 0.82 BRD4 (0.43) BRD4CYP11B1CYP11B2CYP19A1MAPK1

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 BRD4 1/4885CYP11B1 2031/4885CYP11B2 1929/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 BRD4 1/4885CYP11B1 2031/4885CYP11B2 1929/4885

“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.