SCHEMBL21847283

SCHEMBL21847283

COc1cccc(CN2N=C(c3ccc(Cl)cc3)c3ccsc3-n3c(C)nnc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
USP2 O75604 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP3A4 P08684 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C9 P11712 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
BRD4 O60885 9/20 0.39
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PTK2B Q14289 1/20 0.37
P2RX7 Q99572 1/20 0.37
CXCR2 P25025 1/20 0.37

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
SCHEMBL21847192 0.90 BRD4 (0.39) ALDH1A1USP2HSD17B10LMNAMAPK1
SCHEMBL21847285 0.88 BRD4 (0.43) ALDH1A1USP2LMNABRD4
SCHEMBL8319389 0.85 BRD4 (0.46) HSD17B10LMNABRD4P2RX7
SCHEMBL21847118 0.84 P2RX7 (0.38) BRD4P2RX7
SCHEMBL21847138 0.83 BRD4 (0.46) BRD4
SCHEMBL21847113 0.83 BRD4 (0.37) ALDH1A1TP53BRD4POLB
SCHEMBL21847111 0.79 BRD4 (0.39) ALDH1A1LMNATP53BRD4KMT2A
SCHEMBL21847182 0.79 BRD4 (0.41) HSD17B10LMNAMAPK1TP53BRD4
SCHEMBL21914701 0.79 SMN1; SMN2 (0.35) ALDH1A1USP2CYP1A2CYP2C19CYP3A4
SCHEMBL8319731 0.77 OPRK1 (0.42) USP2HSD17B10LMNAMAPK1TP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 ALDH1A1 3279/4885USP2 2696/4885CYP1A2 3264/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 ALDH1A1 3279/4885USP2 2696/4885CYP1A2 3264/4885

“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.