SCHEMBL26912645

SCHEMBL26912645

NC(=O)COc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.41
▸ CGAS Q8N884 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ STING1 Q86WV6 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ ROCK2 O75116 12/20 0.35
▸ ROCK1 Q13464 12/20 0.35
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 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
SCHEMBL26913701 0.89 PDK2 (0.39) PDK2CGASALDH1A1STING1PRKAB2
SCHEMBL26912975 0.84 CGAS (0.40) CGASROCK2ROCK1
SCHEMBL26913392 0.82 CGAS (0.37) CGASROCK2ROCK1
SCHEMBL26912534 0.82 CGAS (0.39) CGASPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL26912403 0.81 CGAS (0.36) CGASROCK2ROCK1
SCHEMBL26912991 0.80 CGAS (0.38) CGASROCK2ROCK1
SCHEMBL26913181 0.80 CGAS (0.39) CGASROCK2ROCK1
SCHEMBL26912487 0.80 CGAS (0.37) CGASROCK2ROCK1
SCHEMBL26912763 0.79 CGAS (0.39) PDK2CGASSTING1ROCK2ROCK1
SCHEMBL26913053 0.77 CGAS (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 — — WO disclosed
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 PDK2 875/4885CGAS 1/4885ALDH1A1 4135/4885

“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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