SCHEMBL8319583

SCHEMBL8319583

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NN(Cc1ccc(C#N)cc1)c1nnc(C)n1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.49
BRDT Q58F21 11/20 0.49
ADORA3 P0DMS8 1/20 0.46
TSPO P30536 1/20 0.46
DNER Q8NFT8 2/20 0.45
BRD2 P25440 3/20 0.44
BRD3 Q15059 3/20 0.44
HDAC3 O15379 1/20 0.44
JAK2 O60674 1/20 0.44
BRD1 O95696 1/20 0.44
CCL2 P13500 1/20 0.44
HDAC4 P56524 1/20 0.44
EP300 Q09472 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
CREBBP Q92793 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8320915 0.92 BRD4 (0.52) BRD4BRDTADORA3TSPODNER
SCHEMBL8320181 0.90 BRD4 (0.48) BRD4BRDTADORA3TSPO
SCHEMBL21847110 0.89 BRD4 (0.49) BRD4BRDTADORA3TSPODNER
SCHEMBL8316822 0.88 BRD4 (0.48) BRD4BRDTADORA3TSPODNER
SCHEMBL21847207 0.88 BRD4 (0.53) BRD4BRDTADORA3TSPODNER
SCHEMBL8318697 0.87 BRD4 (0.51) BRD4BRDTADORA3TSPODNER
SCHEMBL21847156 0.86 BRD4 (0.49) BRD4BRDTADORA3TSPODNER
SCHEMBL21847125 0.86 BRD4 (0.49) BRD4BRDTADORA3TSPODNER
SCHEMBL8321566 0.86 BRD4 (0.47) BRD4BRDTADORA3TSPODNER
SCHEMBL8316015 0.86 BRD4 (0.51) BRD4BRDTADORA3TSPODNER

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 7 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
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 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-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-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 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 BRD4 1/4885BRDT 9/4885ADORA3 2499/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 BRD4 1/4885BRDT 9/4885ADORA3 2499/4885

“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.