SCHEMBL21847293

SCHEMBL21847293

COc1ccc(C2=NN(Cc3cccnc3)C(=S)Nc3sc(C)c(C)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
DCTPP1 Q9H773 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
AURKA O14965 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL21847195 0.90 KDM4E (0.41) MEN1KMT2AALDH1A1PKMRAB9A
SCHEMBL8321188 0.89 GAA (0.42) GSK3BMEN1KMT2AALDH1A1RAB9A
SCHEMBL8321508 0.87 CYP11B1 (0.39) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL8319130 0.86 GAA (0.39) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL21847258 0.85 GSK3B (0.37) GSK3BMEN1KMT2AALDH1A1PKM
SCHEMBL21847190 0.84 P2RX7 (0.39) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL23320126 0.83 BRD4 (0.32) MEN1KMT2APKM
SCHEMBL21847224 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1PKMRAB9A
SCHEMBL21847215 0.83 P2RX7 (0.44) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL21847214 0.82 P2RX7 (0.42) MEN1KMT2AALDH1A1PKMGAA

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 GSK3B 1619/4885MEN1 2870/4885KMT2A 43/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 GSK3B 1619/4885MEN1 2870/4885KMT2A 43/4885

“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.