SCHEMBL26912544

SCHEMBL26912544

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 3/20 0.38
▸ ROCK1 Q13464 7/20 0.33
▸ MYLK4 Q86YV6 1/20 0.33
▸ ROCK2 O75116 12/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ CDC42BPA Q5VT25 1/20 0.30
▸ AKT1 P31749 1/20 0.30

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
SCHEMBL26912712 0.92 CGAS (0.39) CGASROCK1MYLK4ROCK2IRAK4
SCHEMBL26913157 0.88 CGAS (0.35) CGASROCK1MYLK4ROCK2
SCHEMBL26912976 0.79 CGAS (0.40) CGASROCK1ROCK2IRAK4
SCHEMBL26912789 0.78 CGAS (0.40) CGASROCK1ROCK2AKT1
SCHEMBL26913242 0.77 CGAS (0.38) CGASROCK1MYLK4ROCK2IRAK4
SCHEMBL26912246 0.77 CGAS (0.41) CGASROCK1ROCK2IRAK4
SCHEMBL30684441 0.76 MAPK1 (0.38) CGASROCK1MYLK4ROCK2IRAK4
SCHEMBL26912807 0.76 MAPK1 (0.38) CGASROCK1MYLK4ROCK2IRAK4
SCHEMBL26913459 0.75 CGAS (0.39) CGASROCK1ROCK2
SCHEMBL30684427 0.70 EZH2 (0.32) CGASROCK1ROCK2

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 CGAS 1/4885ROCK1 824/4885MYLK4 1914/4885

“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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