SCHEMBL22394710

SCHEMBL22394710

Cc1cc(-c2[nH]c(N)nc2-c2ccc(O)c(O)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.48
▸ MAPK14 Q16539 3/20 0.46
▸ MAPK13 O15264 2/20 0.46
▸ MAPK12 P53778 2/20 0.46
▸ MAPK11 Q15759 2/20 0.46
▸ GCGR P47871 1/20 0.46
▸ TGFBR1 P36897 2/20 0.41
▸ TLR8 Q9NR97 4/20 0.40
▸ TLR7 Q9NYK1 4/20 0.40
▸ TLR9 Q9NR96 3/20 0.40
▸ BRAF P15056 4/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ATP4A P20648 1/20 0.37
▸ ATP4B P51164 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30527122 1.00 JAK3 (0.48) JAK3MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407611 0.89 MAPK14 (0.48) JAK3MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620833 0.89 MAPK14 (0.48) JAK3MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407703 0.82 TGFBR1 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620815 0.82 TGFBR1 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620839 0.82 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407682 0.82 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL22396317 0.80 CCNB2 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL22394707 0.80 CCNB2 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL30527119 0.80 CCNB2 (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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 — — EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 — — EP disclosed
CN-111566099-B Antibacterial compounds 迪斯库瓦有限公司 2023-06-02 — — CN disclosed
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
EP-3704105-A1 ANTIBACTERIAL COMPOUNDS Discuva Ltd. (GB) 2020-09-09 — — EP disclosed
CN-111566099-A Antibacterial compounds 迪斯库瓦有限公司 2020-08-21 — — CN 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 JAK3 4092/4885MAPK14 3035/4885MAPK13 3687/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS JAK3 4107/4885MAPK14 2955/4885MAPK13 3493/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 JAK3 4092/4885MAPK14 3035/4885MAPK13 3687/4885

“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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