SCHEMBL21847263

SCHEMBL21847263

[CH2]c1cccnc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PDE10A Q9Y233 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
CTSB P07858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL29579675 0.77 PDE10A (0.58) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL5643188 0.77 PDE10A (0.48) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL294121 0.77 PDE10A (0.58) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL601835 0.75 HTT (0.50) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL799695 0.75 ALDH1A1 (0.51) KMT2AMEN1PDE10APOLBALDH1A1
SCHEMBL251801 0.75 MAPT (0.45) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL15681921 0.75 KMT2A (0.43) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL7014776 0.75 KMT2A (0.43) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL5700168 0.75 MEN1 (0.43) KMT2AMEN1PDE10APOLBNPC1
SCHEMBL541486 0.75 NPC1 (0.51) KMT2AMEN1PDE10APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914280-B 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triazab derivatives 阿尤米制药公司 2024-05-03 CN 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
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-110914280-A 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triaza derivatives 阿尤米制药公司 2020-03-24 CN 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 KMT2A 43/4885MEN1 2870/4885PDE10A 4770/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 KMT2A 43/4885MEN1 2870/4885PDE10A 4770/4885

“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.