SCHEMBL24239288

SCHEMBL24239288

CC(N)n1cnc2c(=O)[nH]c3nccn3c21

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL22071855 0.89 MEN1 (0.33) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL25808667 0.82 PDE4A (0.34)
SCHEMBL24239294 0.79 ALDH1A1 (0.39)
SCHEMBL23619220 0.79 ALDH1A1 (0.33)
SCHEMBL23619444 0.79 PDE4A (0.35) ADORA2A
SCHEMBL23619286 0.77 PDE4A (0.34)
SCHEMBL22072395 0.76 PDE4A (0.42) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23619261 0.75 PDE2A (0.31)
SCHEMBL23619302 0.71 PDE4A (0.34)
SCHEMBL23619386 0.70 PDE4A (0.40)

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
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 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 (2 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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA2A 65/4885ADORA2B 126/4885ADORA1 32/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA2A 69/4885ADORA2B 147/4885ADORA1 33/4885

“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.