SCHEMBL26912229

SCHEMBL26912229

CC(=O)NC1CCCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.33
▸ CGAS Q8N884 1/20 0.33
▸ MELK Q14680 1/20 0.31
▸ EZH2 Q15910 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ UCHL1 P09936 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
SCHEMBL30684348 0.95 CGAS (0.33) ROCK2CGASMELKEZH2ROCK1
SCHEMBL26912604 0.95 CGAS (0.33) ROCK2CGASMELKEZH2ROCK1
SCHEMBL26912994 0.95 CGAS (0.33) ROCK2CGASMELKEZH2ROCK1
SCHEMBL30684406 0.95 CGAS (0.33) ROCK2CGASMELKEZH2ROCK1
SCHEMBL30684385 0.87 CGAS (0.33) ROCK2CGAS
SCHEMBL26913846 0.87 CGAS (0.33) ROCK2CGAS
SCHEMBL30684398 0.86 ROCK2 (0.36) ROCK2MELKROCK1
SCHEMBL30684258 0.86 ROCK2 (0.36) ROCK2MELKROCK1
SCHEMBL26913077 0.86 ROCK2 (0.36) ROCK2MELKROCK1
SCHEMBL26912901 0.86 ROCK2 (0.36) ROCK2MELKROCK1

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 ROCK2 878/4885CGAS 1/4885MELK 3072/4885

“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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