SCHEMBL21847201

SCHEMBL21847201

CSC1=Nc2sc(C)c(C)c2C(c2ccc(NC(C)=O)cc2)=NN1Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
MDM2 Q00987 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 2/20 0.36
AURKA O14965 1/20 0.35
BRD4 O60885 1/20 0.35
POLB P06746 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 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
SCHEMBL21915465 0.91 ALDH1A1 (0.37) CCNE2CCNE1CDK2ALDH1A1HTT
SCHEMBL21847329 0.91 CCNE2 (0.39) CCNE2CCNE1CDK2ALDH1A1HTT
SCHEMBL21847271 0.87 SLC22A12 (0.32) ALDH1A1HTTPKMMDM2MAPT
SCHEMBL23320236 0.87 BRD4 (0.31) KDM4EMAPTKMT2AMEN1BRD4
SCHEMBL21847251 0.87 RGS12 (0.34) ALDH1A1KMT2AMEN1GAABRD4
SCHEMBL21847244 0.85 NR3C1 (0.37) ALDH1A1MAPTKMT2AGAABRD4
SCHEMBL21847310 0.85 BRD4 (0.33) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL21847301 0.84 POLB (0.37) CCNE2CCNE1CDK2ALDH1A1HTT
SCHEMBL21847266 0.84 RAB9A (0.39) ALDH1A1PKMKDM4EMAPTKMT2A
SCHEMBL21847307 0.79 P2RX7 (0.43) CCNE2CCNE1CDK2ALDH1A1KDM4E

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 CCNE2 867/4885CCNE1 1016/4885CDK2 139/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 CCNE2 867/4885CCNE1 1016/4885CDK2 139/4885

“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.