SCHEMBL23407657

SCHEMBL23407657

Cc1cc(-c2nc(N)[nH]c2-c2ccc(OCC3CC3)c(F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 4/20 0.47
▸ TLR8 Q9NR97 4/20 0.47
▸ TLR7 Q9NYK1 4/20 0.47
▸ XDH P47989 3/20 0.47
▸ AAK1 Q2M2I8 1/20 0.43
▸ GRM2 Q14416 7/20 0.42
▸ MAPK14 Q16539 5/20 0.42
▸ MAPK13 O15264 2/20 0.42
▸ MAPK12 P53778 2/20 0.42
▸ MAPK11 Q15759 2/20 0.42
▸ GCGR P47871 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL29620813 1.00 TLR9 (0.47) TLR9TLR8TLR7XDHAAK1
SCHEMBL23407698 0.88 AAK1 (0.46) TLR8TLR7AAK1GRM2MAPK14
SCHEMBL29620835 0.88 AAK1 (0.46) TLR8TLR7AAK1GRM2MAPK14
SCHEMBL29620766 0.87 MAPK14 (0.45) TLR9TLR8TLR7AAK1GRM2
SCHEMBL23407668 0.87 MAPK14 (0.45) TLR9TLR8TLR7AAK1GRM2
SCHEMBL23407636 0.85 GRM2 (0.48) AAK1GRM2MAPK14MAPK13MAPK12
SCHEMBL29620805 0.85 GRM2 (0.48) AAK1GRM2MAPK14MAPK13MAPK12
SCHEMBL23407656 0.83 MAPK14 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620750 0.83 MAPK14 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407558 0.79 MAPK14 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 — — US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 — — US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 — — US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 — — US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 — — 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 (3 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 TLR9 139/4885TLR8 133/4885TLR7 157/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS TLR9 177/4885TLR8 73/4885TLR7 345/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 TLR9 139/4885TLR8 133/4885TLR7 157/4885

“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.

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