SCHEMBL23407592

SCHEMBL23407592

COc1ccc(-c2nc(N)[nH]c2-c2ccnc(C)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.45
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIP5K1C O60331 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ TLR8 Q9NR97 4/20 0.41
▸ TLR7 Q9NYK1 4/20 0.41
▸ MAPK13 O15264 3/20 0.41
▸ MAPK12 P53778 3/20 0.41
▸ MAPK11 Q15759 3/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ GCGR P47871 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ TLR9 Q9NR96 3/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40

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
SCHEMBL29620798 1.00 ADORA2B (0.45) ADORA2BPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL23407565 0.82 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL22394707 0.82 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL22396317 0.82 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL30527113 0.82 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL30527119 0.82 CCNB2 (0.49) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL29620810 0.81 DYRK1A (0.58) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL23407615 0.81 DYRK1A (0.58) DYRK1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL23407585 0.81 PIK3CA (0.43) PIK3CADYRK1ATLR8TLR7MAPK13
SCHEMBL29620816 0.81 PIK3CA (0.43) PIK3CADYRK1ATLR8TLR7MAPK13

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 ADORA2B 4509/4885PIK3CA 1596/4885PIK3CD 1959/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS ADORA2B 4794/4885PIK3CA 537/4885PIK3CD 446/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 ADORA2B 4509/4885PIK3CA 1596/4885PIK3CD 1959/4885

“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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