SCHEMBL21847260

SCHEMBL21847260

Cc1sc(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.63
MAPT P10636 3/20 0.63
GAA P10253 2/20 0.51
ADORA1 P30542 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SRD5A2 P31213 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CES1 P23141 1/20 0.46
POLB P06746 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL135598 0.81 ALDH1A1 (0.75) ALDH1A1LMNAMAPTGAAADORA1
SCHEMBL881267 0.78 ALDH1A1 (0.71) ALDH1A1LMNAMAPTGAAADORA1
SCHEMBL18551034 0.78 MAPT (0.71) ALDH1A1LMNAMAPTGAAADORA1
SCHEMBL20280436 0.78 ALDH1A1 (0.71) ALDH1A1LMNAMAPTGAAADORA1
SCHEMBL1638729 0.78 ALDH1A1 (1.00) ALDH1A1LMNAMAPTGAAADORA1
SCHEMBL21847219 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL23320215 0.76 ALDH1A1 (0.44) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL21847237 0.73 ALDH1A1 (0.63) ALDH1A1LMNAMAPTGAAADORA1
SCHEMBL975118 0.73 SRD5A2 (0.83) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL10723714 0.73 SRD5A2 (0.83) ALDH1A1LMNAMAPTGAATDP1

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
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-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 ALDH1A1 3279/4885LMNA 2211/4885MAPT 1675/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 ALDH1A1 3279/4885LMNA 2211/4885MAPT 1675/4885

“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.