SCHEMBL8319973

SCHEMBL8319973

Cc1cc2c(s1)-n1c(C)nnc1N(Cc1ccc(-c3nnnn3C)cc1)N=C2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
OXTR P30559 1/20 0.31
ACLY P53396 1/20 0.31
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31
PTAFR P25105 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
P2RX7 Q99572 1/20 0.30
HSD11B1 P28845 1/20 0.30
AVPR1A P37288 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL8317642 0.86 OXTR (0.40) BRD4ALDH1A1GLAGAAOXTR
SCHEMBL8318869 0.86 BRD4 (0.47) BRD4ALDH1A1OPRK1PDE4DPTAFR
SCHEMBL8322696 0.86 BRD4 (0.39) BRD4AKT1AKT2PKMPKLR
SCHEMBL8317069 0.84 BRD4 (0.41) BRD4GAAOPRK1PDE4DPTAFR
SCHEMBL8320709 0.83 BRD4 (0.36) BRD4OPRK1PDE4DPTAFR
SCHEMBL8315565 0.83 BRD4 (0.38) BRD4PTAFR
SCHEMBL8317576 0.81 BRD4 (0.39) BRD4OPRK1PDE4DPTAFR
SCHEMBL8318376 0.81 P2RX7 (0.39) BRD4PTAFRP2RX7
SCHEMBL21847182 0.80 BRD4 (0.41) BRD4GLAGAASMN1; 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 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 1/4885ALDH1A1 3279/4885AKT1 4552/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 BRD4 1/4885ALDH1A1 3279/4885AKT1 4552/4885

“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.