SCHEMBL26912704

SCHEMBL26912704

N#CCOc1cc(Cl)c(Cl)c2[nH]c(CO)c(I)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 2/20 0.46
▸ NR1I2 O75469 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ TACR2 P21452 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GALE Q14376 1/20 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
SCHEMBL26912287 0.78 CGAS (0.41) CGAS
SCHEMBL26912670 0.74 CGAS (0.44) CGASNR1I2ADRA2AADORA3ADRA2B
SCHEMBL26913470 0.73 CGAS (0.41) CGASNR1I2ADRA2AADORA3ADRA2B
SCHEMBL26913243 0.65 CGAS (0.41) CGASNR1I2ADRA2AADORA3ADRA2B
SCHEMBL31013018 0.65 CGAS (0.66) CGAS
SCHEMBL31012890 0.65 CGAS (0.52) CGAS
SCHEMBL26912979 0.64 CGAS (0.36) CGASNR1I2ADRA2AADORA3ADRA2B
SCHEMBL30684164 0.64 CGAS (0.35) CGAS
SCHEMBL26912564 0.64 CGAS (0.35) CGAS
SCHEMBL31013020 0.63 CGAS (1.00) CGAS

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 1/4885NR1I2 3396/4885ADRA2A 3582/4885

“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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