SCHEMBL21810482

SCHEMBL21810482

Brc1ccc2nn(C3COC3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
BACE1 P56817 1/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
IRAK4 Q9NWZ3 6/20 0.32
PTPN11 Q06124 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPM1 P06748 1/20 0.31
ALK Q9UM73 1/20 0.31
CLK1 P49759 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL29041967 0.88 IRAK4 (0.43) TLR8MAPTNPC1RAB9AALDH1A1
SCHEMBL20502284 0.88 BACE1 (0.35) BACE1MAPTNPC1RAB9AALDH1A1
SCHEMBL30676504 0.86 IRAK4 (0.36) TLR8BACE1MAPTNPC1RAB9A
SCHEMBL11890643 0.85 TLR8 (0.44) TLR8BACE1MAPTNPC1RAB9A
SCHEMBL30122249 0.85 IRAK4 (0.41) TLR8MAPTALDH1A1HTTIRAK4
SCHEMBL29083592 0.83 TLR8 (0.37) TLR8BACE1MAPTNPC1RAB9A
SCHEMBL25338707 0.81 TLR8 (0.38) TLR8BACE1MAPTNPC1RAB9A
SCHEMBL15345154 0.81 TLR8 (0.39) TLR8BACE1MAPTNPC1RAB9A
SCHEMBL29141445 0.81 TLR8 (0.36) TLR8IRAK4PTPN11
SCHEMBL27007121 0.80 TLR8 (0.41) TLR8BACE1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596051-B1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2022-04-27 EP disclosed
EP-3596051-B1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2022-04-27 EP disclosed
US-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LIMITED (IN) 2020-03-19 US disclosed
US-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LIMITED (IN) 2020-03-19 US 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 (1 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-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF GPR119, GPR65, GPR88 TLR8 410/4885BACE1 656/4885MAPT 976/4885

“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.