SCHEMBL21915465

SCHEMBL21915465

CSC1=Nc2sc(C)c(C)c2C(c2ccc(NC(C)=O)cc2)=NN1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.37
BRD4 O60885 1/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 1/20 0.36
RGS12 O14924 1/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 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
SCHEMBL21847201 0.91 CCNE2 (0.40) ALDH1A1MEN1KMT2AMAPTBRD4
SCHEMBL21847251 0.88 RGS12 (0.34) ALDH1A1MEN1KMT2ABRD4LMNA
SCHEMBL21847244 0.85 NR3C1 (0.37) ALDH1A1KMT2AMAPTBRD4LMNA
SCHEMBL21847310 0.85 BRD4 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2BRD4
SCHEMBL21847271 0.85 SLC22A12 (0.32) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL21847329 0.82 CCNE2 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL21847188 0.78 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21847270 0.76 BRD4 (0.50) BRD4
SCHEMBL21847266 0.74 RAB9A (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21591798 0.72 TSHR (0.39) ALDH1A1SMN1; SMN2BRD4GAA

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 5 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

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 ALDH1A1 3279/4885MEN1 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 ALDH1A1 3279/4885MEN1 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.