SCHEMBL29620839

SCHEMBL29620839

Cc1cc(-c2nc(N)[nH]c2-c2ccc(Cl)cc2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.66
▸ MAPK13 O15264 11/20 0.66
▸ MAPK12 P53778 11/20 0.66
▸ MAPK11 Q15759 11/20 0.66
▸ GCGR P47871 8/20 0.66
▸ TGFBR1 P36897 2/20 0.46
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL23407682 1.00 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407615 0.84 DYRK1A (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620810 0.84 DYRK1A (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620818 0.82 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407584 0.82 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23407703 0.82 TGFBR1 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL22394710 0.82 JAK3 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL29620815 0.82 TGFBR1 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL30527122 0.82 JAK3 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL23437866 0.80 MAPK13 (0.49) 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 2 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

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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