SCHEMBL26912028

SCHEMBL26912028

Clc1cc(NC2COC2)c2c(-c3cn[nH]c3)c[nH]c2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.37
▸ CGAS Q8N884 2/20 0.34
▸ ROCK2 O75116 6/20 0.33
▸ ROCK1 Q13464 5/20 0.33
▸ CDC42BPB Q9Y5S2 4/20 0.33
▸ CDC42BPA Q5VT25 3/20 0.33
▸ JAK1 P23458 9/20 0.32
▸ JAK2 O60674 4/20 0.32
▸ AKT1 P31749 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ ATAD2 Q6PL18 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL26913150 0.86 ROCK2 (0.34) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26913132 0.86 CGAS (0.36) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26912514 0.86 CGAS (0.36) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26913152 0.86 ROCK2 (0.34) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26912169 0.83 CGAS (0.36) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL30684137 0.83 CGAS (0.36) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26912165 0.83 CGAS (0.36) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26912963 0.83 CGAS (0.36) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26913188 0.81 LRRK2 (0.35) LRRK2CGASROCK2ROCK1CDC42BPB
SCHEMBL26912804 0.77 PGK1 (0.40) LRRK2CGASROCK2ROCK1CDC42BPB

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 LRRK2 73/4885CGAS 1/4885ROCK2 878/4885

“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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