SCHEMBL26913392

SCHEMBL26913392

CCOc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.37
▸ ROCK2 O75116 8/20 0.36
▸ ROCK1 Q13464 8/20 0.36
▸ CDC42BPB Q9Y5S2 3/20 0.36
▸ CDC42BPA Q5VT25 2/20 0.36
▸ TTK P33981 2/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ PGK1 P00558 1/20 0.34
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ MET P08581 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL26912975 0.86 CGAS (0.40) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26912403 0.85 CGAS (0.36) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26912487 0.84 CGAS (0.37) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26912534 0.84 CGAS (0.39) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26913181 0.84 CGAS (0.39) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26912988 0.83 CGAS (0.37) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26912645 0.82 PDK2 (0.41) CGASROCK2ROCK1
SCHEMBL26912991 0.82 CGAS (0.38) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26912804 0.79 PGK1 (0.40) CGASROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26913053 0.79 CGAS (0.38) CGASROCK2ROCK1CDC42BPBCDC42BPA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391786-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2023-12-07 — — 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 (1 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-20230391786-A1 cGAS INHIBITORS CGAS, STING1, TBK1 CGAS 1/4885ROCK2 878/4885ROCK1 824/4885

“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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