SCHEMBL23619409

SCHEMBL23619409

CCCCC(C)n1ccc2c(N)ccnc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 3/20 0.45
SLC2A1 P11166 2/20 0.39
PDE4B Q07343 3/20 0.36
TLR7 Q9NYK1 2/20 0.33
TLR8 Q9NR97 2/20 0.33
SLC29A1 Q99808 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
SCHEMBL25810956 0.91 SLC2A1 (0.46) ADASLC2A1PDE4BTLR7SLC29A1
SCHEMBL23619425 0.84 ADA (0.42) ADASLC2A1PDE4BTLR8
SCHEMBL25811616 0.78 ADA (0.33) ADA
SCHEMBL13482934 0.78 NCF1 (0.37) ADA
SCHEMBL24222061 0.77 DHFR (0.43) ADASLC2A1PDE4B
SCHEMBL24239193 0.75 ADA (0.50) ADAPDE4B
SCHEMBL23619314 0.75 HRH4 (0.45) ADAPDE4BTLR8
SCHEMBL21078676 0.71 SLC2A1 (0.49) ADASLC2A1PDE4B
SCHEMBL4235557 0.70 ADA (0.39) ADA
SCHEMBL22071859 0.70 DYRK1A (0.37) ADAPDE4BTLR8

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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADA 147/4885SLC2A1 3933/4885PDE4B 198/4885

“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.