SCHEMBL23407615

SCHEMBL23407615

COc1ccc(-c2[nH]c(N)nc2-c2ccnc(C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.58
▸ MAPK13 O15264 6/20 0.48
▸ MAPK12 P53778 6/20 0.48
▸ MAPK11 Q15759 6/20 0.48
▸ MAPK14 Q16539 6/20 0.48
▸ GCGR P47871 2/20 0.48
▸ RAF1 P04049 2/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45
▸ TEK Q02763 7/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.44
▸ SMPD3 Q9NY59 1/20 0.43

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
SCHEMBL29620810 1.00 DYRK1A (0.58) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL29620760 0.86 MAPK14 (0.53) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL23407575 0.86 MAPK14 (0.53) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL22394707 0.85 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL22396317 0.85 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL30527113 0.85 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL30527119 0.85 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL23407682 0.84 MAPK14 (0.66) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL29620839 0.84 MAPK14 (0.66) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL23407584 0.82 MAPK14 (0.47) DYRK1AMAPK13MAPK12MAPK11MAPK14

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 DYRK1A 4606/4885MAPK13 3687/4885MAPK12 2492/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS DYRK1A 3291/4885MAPK13 3493/4885MAPK12 2356/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 DYRK1A 4606/4885MAPK13 3687/4885MAPK12 2492/4885

“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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