SCHEMBL30684349

SCHEMBL30684349

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.39
▸ NTRK1 P04629 7/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ROCK2 O75116 7/20 0.33
▸ ROCK1 Q13464 3/20 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
SCHEMBL26913442 1.00 CGAS (0.39) CGASNTRK1MAPK1IRAK4ROCK2
SCHEMBL26912807 0.84 MAPK1 (0.38) CGASNTRK1MAPK1IRAK4ROCK2
SCHEMBL30684441 0.84 MAPK1 (0.38) CGASNTRK1MAPK1IRAK4ROCK2
SCHEMBL26913323 0.81 CGAS (0.44) CGASIRAK4ROCK2ROCK1
SCHEMBL26912713 0.80 CGAS (0.34) CGASNTRK1
SCHEMBL26912246 0.76 CGAS (0.41) CGASIRAK4ROCK2ROCK1
SCHEMBL26913265 0.74 PIM1 (0.34) CGASNTRK1MAPK1
SCHEMBL30684371 0.74 PIM1 (0.34) CGASNTRK1MAPK1
SCHEMBL26912243 0.72 CGAS (0.39) CGASIRAK4ROCK2ROCK1
SCHEMBL26913748 0.71 USP2 (0.43) 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 CGAS 1/4885NTRK1 4636/4885MAPK1 1900/4885

“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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