SCHEMBL29620805

SCHEMBL29620805

COc1ccc(-c2[nH]c(N)nc2-c2ccnc(C)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.48
▸ MAPK14 Q16539 5/20 0.47
▸ MAPK13 O15264 3/20 0.47
▸ MAPK12 P53778 3/20 0.47
▸ MAPK11 Q15759 3/20 0.47
▸ GCGR P47871 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42

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
SCHEMBL23407636 1.00 GRM2 (0.48) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620751 0.91 MAPK14 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407558 0.91 MAPK14 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL22394707 0.90 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL22396317 0.90 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL30527119 0.90 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL30527113 0.90 CCNB2 (0.49) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407698 0.89 AAK1 (0.46) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL29620835 0.89 AAK1 (0.46) GRM2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23407584 0.86 MAPK14 (0.47) GRM2MAPK14MAPK13MAPK12MAPK11

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 4 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

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 GRM2 4622/4885MAPK14 3035/4885MAPK13 3687/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS GRM2 4775/4885MAPK14 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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