SCHEMBL21847259

SCHEMBL21847259

COc1ccccc1C1=NN(Cc2cccnc2)C(SC)=Nc2sc(C)c(C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 6/20 0.36
CYP2D6 P10635 6/20 0.36
CYP2C19 P33261 6/20 0.36
HSD17B10 Q99714 5/20 0.36
ALOX15 P16050 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CLK4 Q9HAZ1 1/20 0.36
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GFER P55789 2/20 0.35
FYN P06241 1/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4B Q07343 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL21847267 0.89 P2RX7 (0.41) P2RX7CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21847266 0.85 RAB9A (0.39) CYP3A4CYP2C19HSD17B10TDP1ALDH1A1
SCHEMBL21847145 0.82 LMNA (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL21914684 0.82 PDE4B (0.32) P2RX7ALDH1A1KDM4EGFERTSHR
SCHEMBL21847307 0.79 P2RX7 (0.43) P2RX7ALDH1A1CLK4KDM4ETSHR
SCHEMBL21847190 0.78 P2RX7 (0.39) P2RX7CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21847135 0.76 P2RX7 (0.40) P2RX7CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL23320236 0.76 BRD4 (0.31) KDM4EMEN1MAPTKMT2A
SCHEMBL21847201 0.76 CCNE2 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL21915465 0.68 ALDH1A1 (0.37) TDP1ALDH1A1KDM4EGFERLMNA

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 P2RX7 3376/4885CYP1A2 3264/4885CYP3A4 2717/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 P2RX7 3376/4885CYP1A2 3264/4885CYP3A4 2717/4885

“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.