SCHEMBL21847252

SCHEMBL21847252

CC(=O)Nc1ccc(C(=O)CC#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
TP53 P04637 2/20 0.62
HIF1A Q16665 1/20 0.62
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49

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
SCHEMBL28573424 0.82 MCL1 (0.41) ALDH1A1TP53HIF1AMAPTKMT2A
SCHEMBL8626883 0.82 CA12 (0.63) ALDH1A1TP53MAPTKMT2ARAB9A
SCHEMBL395103 0.81 GSK3B (0.48) ALDH1A1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL11116780 0.80 ALDH1A1 (0.72) ALDH1A1TP53HIF1AMAPTKMT2A
SCHEMBL28537498 0.80 KMT2A (0.48) ALDH1A1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL10967271 0.79 TP53 (0.53) ALDH1A1TP53HIF1AMAPTKMT2A
SCHEMBL14408076 0.79 ALDH1A1 (0.57) ALDH1A1TP53HIF1AMAPTKMT2A
SCHEMBL4111270 0.78 ALDH1A1 (0.70) ALDH1A1TP53HIF1AMAPTKMT2A
SCHEMBL3619479 0.78 ALDH1A1 (0.70) ALDH1A1TP53HIF1AMAPTKMT2A
SCHEMBL29623006 0.77 SMN1; SMN2 (0.67) ALDH1A1TP53HIF1AMAPTKMT2A

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
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
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 ALDH1A1 3279/4885TP53 2705/4885HIF1A 3897/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 ALDH1A1 3279/4885TP53 2705/4885HIF1A 3897/4885

“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.