SCHEMBL21847262

SCHEMBL21847262

COc1ccc(COCc2sc3c(c2C)C(c2ccc(NC(C)=O)cc2)=NN(Cc2cccnc2)c2nnc(C)n2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.41
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 5/20 0.36
RXFP3 Q9NSD7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL21847151 0.87 BRD4 (0.41) BRD4MAPTNAMPTALDH1A1GAA
SCHEMBL21914885 0.85 LMNA (0.36) BRD4POLBMAPTLMNASMN1; SMN2
SCHEMBL21847204 0.84 BRD4 (0.49) BRD4NAMPT
SCHEMBL21847296 0.82 POLB (0.39) POLBMAPTLMNANAMPTRXFP3
SCHEMBL21847301 0.82 POLB (0.37) POLBMAPTLMNANAMPTRXFP3
SCHEMBL8317447 0.80 BRD4 (0.42) BRD4NAMPTALDH1A1MEN1KMT2A
SCHEMBL21847178 0.79 BRD4 (0.41) BRD4MAPTNAMPTALDH1A1GAA
SCHEMBL21847241 0.79 BRD4 (0.42) BRD4
SCHEMBL21847169 0.77 BRD4 (0.42) BRD4MAPTNAMPTALDH1A1GAA
SCHEMBL21847270 0.77 BRD4 (0.50) BRD4NAMPT

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 3 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-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 BRD4 1/4885POLB 1559/4885MAPT 1675/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 BRD4 1/4885POLB 1559/4885MAPT 1675/4885

“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.