SCHEMBL21847307

SCHEMBL21847307

CSC1=Nc2sc(C)c(C)c2C(c2cccc(Cl)c2)=NN1Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRM5 P41594 1/20 0.36
LMNA P02545 2/20 0.36
PTGER2 P43116 1/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
NPY5R Q15761 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
SCHEMBL21847145 0.88 LMNA (0.41) LMNAMAPTTSHRNPY5RKDM4E
SCHEMBL21847267 0.84 P2RX7 (0.41) P2RX7GRIN1GRIN2BLMNAPTGER2
SCHEMBL21847266 0.83 RAB9A (0.39) LMNAMAPTKDM4EALDH1A1MEN1
SCHEMBL23320236 0.79 BRD4 (0.31) MAPTKDM4EMEN1KMT2ABRD4
SCHEMBL21847201 0.79 CCNE2 (0.40) MAPTCCNE2CCNE1CDK2KDM4E
SCHEMBL21847259 0.79 P2RX7 (0.39) P2RX7LMNAMAPTTSHRKDM4E
SCHEMBL21847215 0.78 P2RX7 (0.44) P2RX7GRIN1GRIN2BGRM5LMNA
SCHEMBL21914684 0.77 PDE4B (0.32) P2RX7TSHRKDM4EALDH1A1
SCHEMBL21847139 0.76 P2RX7 (0.45) P2RX7GRIN1GRIN2BLMNABRD4
SCHEMBL21915465 0.71 ALDH1A1 (0.37) LMNAMAPTCCNE2CCNE1CDK2

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 3376/4885GRIN1 201/4885GRIN2B 152/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 P2RX7 3376/4885GRIN1 201/4885GRIN2B 152/4885

“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.