SCHEMBL21847244

SCHEMBL21847244

COc1cncc(CN2N=C(c3ccc(NC(C)=O)cc3)c3c(sc(C)c3C)N=C2SC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.37
FGFR3 P22607 1/20 0.36
PIK3CG P48736 3/20 0.35
ALK Q9UM73 1/20 0.34
FYN P06241 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CLK2 P49760 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32

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 0.85 CCNE2 (0.40) ALDH1A1GAAMAPTPOLBKMT2A
SCHEMBL21915465 0.85 ALDH1A1 (0.37) ALDH1A1LMNAGAAMAPTHPGD
SCHEMBL21847251 0.82 RGS12 (0.34) FYNALDH1A1LMNAGAAHPGD
SCHEMBL21847271 0.81 SLC22A12 (0.32) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL21914616 0.80 FGFR3 (0.37) NR3C1FGFR3PIK3CGALKFYN
SCHEMBL21847241 0.79 BRD4 (0.42) BRD4
SCHEMBL21847301 0.79 POLB (0.37) ALDH1A1LMNAGAAMAPTPOLB
SCHEMBL21847310 0.78 BRD4 (0.33) ALDH1A1LMNAHSD17B10GAAHPGD
SCHEMBL21847266 0.78 RAB9A (0.39) ALDH1A1LMNAHSD17B10MAPTPOLB
SCHEMBL21847329 0.77 CCNE2 (0.39) ALDH1A1GAAMAPTKMT2A

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 NR3C1 156/4885FGFR3 1742/4885PIK3CG 3003/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 NR3C1 156/4885FGFR3 1742/4885PIK3CG 3003/4885

“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.