SCHEMBL21847221

SCHEMBL21847221

COc1ncc(F)cc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 3/20 0.43
KDR P35968 2/20 0.37
KIT P10721 2/20 0.37
CSF1R P07333 1/20 0.37
CYP2C19 P33261 1/20 0.37
FLT3 P36888 1/20 0.37
AURKC Q9UQB9 1/20 0.37
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PIK3CA P42336 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MTOR P42345 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
SCN9A Q15858 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
SCHEMBL30630810 0.83 CYP2C9 (0.41) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL15200440 0.83 CYP2C9 (0.41) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL15199513 0.82 P2RX3 (0.40) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL25503495 0.81 CYP2C9 (0.43) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL22690068 0.81 CYP2C9 (0.42) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL4470876 0.81 CYP2C9 (0.40) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL5008455 0.81 PDE4A (0.41) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL14036058 0.81 CYP2C9 (0.38) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL15213174 0.80 HMGCR (0.44) CYP3A4CYP2C9KDRKITCSF1R
SCHEMBL23363880 0.79 CNR2 (0.37) HTR2APIK3CAMTORAURKAAURKB

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
CN-110914280-B 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triazab derivatives 阿尤米制药公司 2024-05-03 CN 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-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
CN-110914280-A 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triaza derivatives 阿尤米制药公司 2020-03-24 CN 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 CYP3A4 2717/4885CYP2C9 4140/4885KDR 3630/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 CYP3A4 2717/4885CYP2C9 4140/4885KDR 3630/4885

“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.