SCHEMBL26913748

SCHEMBL26913748

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CGAS Q8N884 2/20 0.37
▸ ROCK2 O75116 8/20 0.37
▸ ROCK1 Q13464 8/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ CDK8 P49336 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL26913323 0.86 CGAS (0.44) CGASROCK2ROCK1
SCHEMBL26912433 0.86 ROCK2 (0.40) CGASROCK2ROCK1
SCHEMBL26912243 0.85 CGAS (0.39) CGASROCK2ROCK1
SCHEMBL26912984 0.83 CGAS (0.40) CGASROCK2ROCK1
SCHEMBL26912510 0.82 CGAS (0.35) CGASROCK2ROCK1
SCHEMBL26913242 0.79 CGAS (0.38) CGASROCK2ROCK1
SCHEMBL26912644 0.79 CGAS (0.40) CGASROCK2ROCK1
SCHEMBL26913349 0.78 CGAS (0.41) CGASROCK2ROCK1
SCHEMBL26912804 0.77 PGK1 (0.40) CGASROCK2ROCK1
SCHEMBL26912763 0.77 CGAS (0.39) CGASROCK2ROCK1CDK8

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 USP2 1111/4885HPGD 1300/4885SMN1; SMN2 2630/4885

“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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