SCHEMBL29620751

SCHEMBL29620751

COc1cc(-c2[nH]c(N)nc2-c2ccnc(C)c2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.49
▸ MAPK13 O15264 3/20 0.49
▸ MAPK12 P53778 3/20 0.49
▸ MAPK11 Q15759 3/20 0.49
▸ GCGR P47871 1/20 0.49
▸ GRM2 Q14416 7/20 0.48
▸ TGFBR1 P36897 2/20 0.47
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ DYRK1A Q13627 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL23407558 1.00 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620805 0.91 GRM2 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407636 0.91 GRM2 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL22394707 0.90 CCNB2 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL22396317 0.90 CCNB2 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL30527113 0.90 CCNB2 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL30527119 0.90 CCNB2 (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407584 0.84 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620818 0.84 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407698 0.82 AAK1 (0.46) 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 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 MAPK14 3035/4885MAPK13 3687/4885MAPK12 2492/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS MAPK14 2955/4885MAPK13 3493/4885MAPK12 2356/4885

“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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