SCHEMBL21847301

SCHEMBL21847301

COc1ccc(COCc2sc3c(c2C)C(c2ccc(NC(C)=O)cc2)=NN(Cc2cccnc2)C(SC)=N3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE6D O43924 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RXFP3 Q9NSD7 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PTAFR P25105 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL21847201 0.84 CCNE2 (0.40) POLBALDH1A1GAANAMPTMEN1
SCHEMBL21847292 0.84 POLB (0.38) POLBALDH1A1GAACYP3A4CYP2C9
SCHEMBL21847296 0.83 POLB (0.39) POLBALDH1A1GAACYP3A4CYP2C9
SCHEMBL21847262 0.82 BRD4 (0.41) POLBALDH1A1GAACYP3A4CYP2C9
SCHEMBL21847266 0.80 RAB9A (0.39) POLBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21847329 0.79 CCNE2 (0.39) ALDH1A1GAANAMPTMEN1MAPT
SCHEMBL21847244 0.79 NR3C1 (0.37) POLBALDH1A1GAAMAPTKMT2A
SCHEMBL21915465 0.76 ALDH1A1 (0.37) POLBALDH1A1GAAMEN1MAPT
SCHEMBL21847251 0.73 RGS12 (0.34) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL21847271 0.72 SLC22A12 (0.32) ALDH1A1GAAMEN1MAPTKMT2A

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 POLB 1559/4885ALDH1A1 3279/4885GAA 4541/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 POLB 1559/4885ALDH1A1 3279/4885GAA 4541/4885

“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.