SCHEMBL23407583

SCHEMBL23407583

Cc1cc(-c2[nH]c(N)nc2-c2ccc(OCC#N)cc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.39
▸ MAPK14 Q16539 6/20 0.39
▸ MAPK13 O15264 2/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ MAPK11 Q15759 2/20 0.39
▸ GCGR P47871 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TLR8 Q9NR97 4/20 0.36
▸ TLR7 Q9NYK1 4/20 0.36
▸ TLR9 Q9NR96 3/20 0.36
▸ BRAF P15056 1/20 0.36
▸ TGFBR1 P36897 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ XDH P47989 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
SCHEMBL23407706 0.80 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407553 0.80 GRM2 (0.47) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL23407615 0.79 DYRK1A (0.58) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL29620810 0.79 DYRK1A (0.58) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL30527113 0.74 CCNB2 (0.49) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL22396317 0.74 CCNB2 (0.49) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL22394707 0.74 CCNB2 (0.49) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL30527119 0.74 CCNB2 (0.49) DYRK1AMAPK14MAPK13MAPK12MAPK11
SCHEMBL22394710 0.74 JAK3 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407703 0.74 TGFBR1 (0.61) 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 7 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
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 DYRK1A 4606/4885MAPK14 3035/4885MAPK13 3687/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS DYRK1A 3291/4885MAPK14 2955/4885MAPK13 3493/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 DYRK1A 4606/4885MAPK14 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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