SCHEMBL8322696

SCHEMBL8322696

Cc1cc2c(s1)-n1c(C)nnc1N(Cc1ccc(-c3nnn(C)n3)cc1)N=C2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.34
CCR5 P51681 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
PTAFR P25105 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ACLY P53396 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL8318869 0.86 BRD4 (0.47) BRD4SMN1; SMN2PTAFROPRK1PDE4D
SCHEMBL8319973 0.86 BRD4 (0.39) BRD4SMN1; SMN2PKMPKLRAKT1
SCHEMBL8317642 0.84 OXTR (0.40) BRD4RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL8317069 0.84 BRD4 (0.41) BRD4PTAFROPRK1PDE4D
SCHEMBL8315565 0.83 BRD4 (0.38) BRD4PTAFR
SCHEMBL8317576 0.81 BRD4 (0.39) BRD4PTAFROPRK1PDE4D
SCHEMBL8320709 0.81 BRD4 (0.36) BRD4PTAFROPRK1PDE4D
SCHEMBL8318376 0.81 P2RX7 (0.39) BRD4PTAFR
SCHEMBL21847182 0.78 BRD4 (0.41) BRD4SMN1; SMN2
SCHEMBL21847152 0.78 BRD4 (0.35) BRD4

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 8 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
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

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 1/4885RAB9A 3214/4885L3MBTL1 927/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 BRD4 1/4885RAB9A 3214/4885L3MBTL1 927/4885

“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.