SCHEMBL21847267

SCHEMBL21847267

CSC1=Nc2sc(C)c(C)c2C(c2ccccc2Cl)=NN1Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.41
TRPA1 O75762 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
PTGER2 P43116 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 2/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL8320823 0.92 HTT (0.33) P2RX7ALDH1A1MAPK1
SCHEMBL21847259 0.89 P2RX7 (0.39) P2RX7ALDH1A1KDM4EMAPTMEN1
SCHEMBL21847307 0.84 P2RX7 (0.43) P2RX7ALDH1A1KDM4EMAPTPTGER2
SCHEMBL21847266 0.83 RAB9A (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21847145 0.80 LMNA (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21914684 0.80 PDE4B (0.32) P2RX7ALDH1A1KDM4ETSHR
SCHEMBL23320236 0.77 BRD4 (0.31) KDM4EMAPTMEN1KMT2A
SCHEMBL21847201 0.77 CCNE2 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21847214 0.77 P2RX7 (0.42) P2RX7TRPA1SIGMAR1ALDH1A1KDM4E
SCHEMBL21847119 0.75 P2RX7 (0.43) P2RX7TRPA1SIGMAR1OPRK1

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 3376/4885TRPA1 1653/4885SIGMAR1 3191/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 P2RX7 3376/4885TRPA1 1653/4885SIGMAR1 3191/4885

“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.