SCHEMBL21847258

SCHEMBL21847258

Cc1sc2c(c1C)C(c1ccc([N+](=O)[O-])cc1)=NN(Cc1cccnc1)C(=S)N2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
NAMPT P43490 1/20 0.37
ATM Q13315 2/20 0.36
PSD A5PKW4 1/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
TLR9 Q9NR96 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SLC29A1 Q99808 1/20 0.35
AR P10275 1/20 0.34
RAB9A P51151 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
SCHEMBL21847293 0.85 GSK3B (0.38) GSK3BMEN1ALDH1A1KMT2AMAPT
SCHEMBL21847224 0.83 ALDH1A1 (0.41) NAMPTMEN1ALDH1A1KMT2AMAPT
SCHEMBL23320126 0.81 BRD4 (0.32) NAMPTMEN1KMT2APKM
SCHEMBL21847215 0.80 P2RX7 (0.44) MEN1ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL21847195 0.79 KDM4E (0.41) MEN1ALDH1A1KMT2AMAPTPKM
SCHEMBL23296435 0.78 SMN1; SMN2 (0.38) GSK3BNAMPTATMPSDBCHE
SCHEMBL21847214 0.78 P2RX7 (0.42) MEN1ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL21847230 0.78 BRD4 (0.41) GSK3BNAMPTBCHE
SCHEMBL21847190 0.77 P2RX7 (0.39) MEN1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL21847212 0.75 ALDH1A1 (0.39) NAMPTMEN1ALDH1A1KMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 1619/4885NAMPT 2539/4885ATM 2197/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 GSK3B 1619/4885NAMPT 2539/4885ATM 2197/4885

“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.