SCHEMBL26912644

SCHEMBL26912644

O=C(Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.40
▸ ROCK2 O75116 15/20 0.39
▸ ROCK1 Q13464 14/20 0.39
▸ AAK1 Q2M2I8 1/20 0.33
▸ MYLK4 Q86YV6 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
SCHEMBL26913242 0.86 CGAS (0.38) CGASROCK2ROCK1AAK1MYLK4
SCHEMBL26913323 0.85 CGAS (0.44) CGASROCK2ROCK1AAK1
SCHEMBL26912433 0.83 ROCK2 (0.40) CGASROCK2ROCK1
SCHEMBL26912243 0.82 CGAS (0.39) CGASROCK2ROCK1
SCHEMBL26914185 0.82 CGAS (0.32) CGAS
SCHEMBL26912735 0.81 CGAS (0.37) CGASROCK2ROCK1
SCHEMBL26913349 0.81 CGAS (0.41) CGASROCK2ROCK1
SCHEMBL26912327 0.80 CGAS (0.38) CGASROCK2ROCK1
SCHEMBL26912984 0.80 CGAS (0.40) CGASROCK2ROCK1
SCHEMBL26912854 0.78 CGAS (0.39) CGASROCK2ROCK1

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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