SCHEMBL21847253

SCHEMBL21847253

[CH2]c1cccnc1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
S100A4 P26447 2/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ATM Q13315 2/20 0.41
HTT P42858 1/20 0.41
PPIA P62937 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 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
SCHEMBL30421156 0.79 RAB9A (0.65) KMT2ARAB9ANPC1ATMHTT
SCHEMBL4272878 0.79 MEN1 (0.60) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL4449131 0.79 NPC1 (0.56) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL5629538 0.79 RAB9A (0.65) KMT2ARAB9ANPC1ATMHTT
SCHEMBL31076256 0.79 MEN1 (0.60) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL5044447 0.79 KMT2A (0.44) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL10109799 0.78 KMT2A (0.46) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL13170017 0.78 RAB9A (0.54) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL30421216 0.78 KMT2A (0.46) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL374899 0.78 KMT2A (0.46) KMT2AMEN1S100A4RAB9ANPC1

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 2870/4885S100A4 2362/4885
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 2870/4885S100A4 2362/4885

“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.