SCHEMBL21847101

SCHEMBL21847101

COc1cccc(CN2N=C(c3ccccc3)c3c(sc(C)c3C)-n3c(C)nnc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.41
BRD2 P25440 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
TSPO P30536 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL21847138 0.92 BRD4 (0.46) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL8320587 0.90 BRD4 (0.45) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL21847229 0.88 BRD4 (0.45) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL21847104 0.88 PDE4B (0.40) BRD4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8318059 0.85 BRD4 (0.45) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL8316217 0.83 BRD4 (0.42) BRD4BRD2BRD3
SCHEMBL8317447 0.83 BRD4 (0.42) BRD4ALDH1A1ADORA3TSPORAB9A
SCHEMBL8317711 0.83 BRD4 (0.44) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL21847207 0.83 BRD4 (0.53) BRD4BRD2ADORA3TSPOBRD3
SCHEMBL8316015 0.81 BRD4 (0.51) BRD4BRD2ADORA3TSPOBRD3

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
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-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
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-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

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 1/4885BRD2 3/4885SIGMAR1 3191/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 BRD4 1/4885BRD2 3/4885SIGMAR1 3191/4885

“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.