SCHEMBL26913265

SCHEMBL26913265

Nc1cc(Cl)c(Cl)c2[nH]nc(-c3cn[nH]c3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.34
▸ NTRK1 P04629 3/20 0.34
▸ PIM3 Q86V86 2/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ CGAS Q8N884 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ PGK1 P00558 1/20 0.32
▸ MET P08581 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31

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
SCHEMBL30684371 1.00 PIM1 (0.34) PIM1NTRK1PIM3PIM2CGAS
SCHEMBL26913053 0.77 CGAS (0.38) PIM1PIM3PIM2CGASCHEK1
Hydrochloric Acid SCHEMBL26912742 0.76 CGAS (0.38) PIM1PIM3PIM2CGASCHEK1
Hydrochloric Acid SCHEMBL30684488 0.76 CGAS (0.38) PIM1PIM3PIM2CGASCHEK1
SCHEMBL26913797 0.75 CGAS (0.39) PIM1NTRK1CGASLRRK2PGK1
SCHEMBL30684346 0.75 CGAS (0.39) PIM1NTRK1CGASLRRK2PGK1
SCHEMBL26912713 0.74 CGAS (0.34) NTRK1CGASLRRK2PGK1AKT1
SCHEMBL26913442 0.74 CGAS (0.39) NTRK1CGASMAPK1
SCHEMBL30684349 0.74 CGAS (0.39) NTRK1CGASMAPK1
SCHEMBL30684441 0.73 MAPK1 (0.38) NTRK1CGASMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIM1 859/4885NTRK1 4636/4885PIM3 1246/4885

“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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