SCHEMBL29620835

SCHEMBL29620835

CCOc1ccc(-c2[nH]c(N)nc2-c2ccnc(C)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.46
▸ MAPK14 Q16539 9/20 0.45
▸ MAPK13 O15264 3/20 0.45
▸ MAPK12 P53778 3/20 0.45
▸ MAPK11 Q15759 3/20 0.45
▸ GCGR P47871 1/20 0.45
▸ TGFBR1 P36897 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ GRM2 Q14416 6/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ KIT P10721 1/20 0.36

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
SCHEMBL23407698 1.00 AAK1 (0.46) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407636 0.89 GRM2 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620805 0.89 GRM2 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620813 0.88 TLR9 (0.47) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407657 0.88 TLR9 (0.47) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407656 0.87 MAPK14 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620750 0.87 MAPK14 (0.48) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407668 0.86 MAPK14 (0.45) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620766 0.86 MAPK14 (0.45) AAK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407558 0.82 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR

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 2 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

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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 AAK1 3498/4885MAPK14 3035/4885MAPK13 3687/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS AAK1 2287/4885MAPK14 2955/4885MAPK13 3493/4885

“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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