SCHEMBL26913701

SCHEMBL26913701

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.39
▸ ROCK2 O75116 14/20 0.36
▸ ROCK1 Q13464 14/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ CGAS Q8N884 1/20 0.33
▸ FEN1 P39748 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
SCHEMBL26912645 0.89 PDK2 (0.41) PDK2ROCK2ROCK1ALDH1A1STING1
SCHEMBL26912304 0.81 FEN1 (0.34) ROCK2ROCK1ALDH1A1CGASFEN1
SCHEMBL26912975 0.73 CGAS (0.40) ROCK2ROCK1CGAS
SCHEMBL26912403 0.72 CGAS (0.36) ROCK2ROCK1CGASFEN1
SCHEMBL26913392 0.71 CGAS (0.37) ROCK2ROCK1CGAS
SCHEMBL26912534 0.71 CGAS (0.39) ROCK2ROCK1PRKAB2PRKAG1PRKAA2
SCHEMBL26912487 0.71 CGAS (0.37) ROCK2ROCK1CGASFEN1
SCHEMBL26912991 0.70 CGAS (0.38) ROCK2ROCK1CGAS
SCHEMBL26913181 0.69 CGAS (0.39) ROCK2ROCK1CGASFEN1
SCHEMBL26913053 0.65 CGAS (0.38) ROCK2ROCK1CGASFEN1

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 875/4885ROCK2 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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