SCHEMBL21847145

SCHEMBL21847145

COc1cccc(C2=NN(Cc3cccnc3)C(SC)=Nc3sc(C)c(C)c32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
PDE4B Q07343 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP1A2 P05177 7/20 0.37
CYP3A4 P08684 7/20 0.37
CYP2D6 P10635 7/20 0.37
CYP2C19 P33261 7/20 0.37
CLK4 Q9HAZ1 5/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
ALOX15 P16050 2/20 0.37
TP53 P04637 2/20 0.37
CYP2C9 P11712 3/20 0.37

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
SCHEMBL21847266 0.90 RAB9A (0.39) LMNAALDH1A1NPC1RAB9AKDM4E
SCHEMBL21847307 0.88 P2RX7 (0.43) LMNAALDH1A1KDM4ECLK4TSHR
SCHEMBL21847259 0.82 P2RX7 (0.39) LMNAALDH1A1KDM4EGFERPDE4B
SCHEMBL21847267 0.80 P2RX7 (0.41) LMNAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL21914684 0.80 PDE4B (0.32) ALDH1A1KDM4EGFERPDE4BTSHR
SCHEMBL21847195 0.78 KDM4E (0.41) LMNAALDH1A1NPC1RAB9AHTT
SCHEMBL23320236 0.78 BRD4 (0.31) KDM4EMAPTMEN1KMT2A
SCHEMBL21847201 0.78 CCNE2 (0.40) ALDH1A1NPC1RAB9AHTTKDM4E
SCHEMBL21847104 0.77 PDE4B (0.40) LMNAALDH1A1NPC1RAB9AHTT
SCHEMBL21847244 0.74 NR3C1 (0.37) LMNAALDH1A1CLK4HSD17B10USP2

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 LMNA 2211/4885ALDH1A1 3279/4885NPC1 998/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 LMNA 2211/4885ALDH1A1 3279/4885NPC1 998/4885

“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.