SCHEMBL22326776

SCHEMBL22326776

CCNNn1c(F)nc2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 17/20 0.46
▸ ADORA1 P30542 16/20 0.46
▸ ADORA2B P29275 13/20 0.46
▸ ADORA3 P0DMS8 7/20 0.46
▸ PI4KA P42356 3/20 0.41
▸ PI4K2B Q8TCG2 3/20 0.41
▸ PI4K2A Q9BTU6 3/20 0.41
▸ PI4KB Q9UBF8 3/20 0.41

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
SCHEMBL22326710 0.80 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18520820 0.79 ADORA2A (0.44) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18526490 0.74 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL24222092 0.72 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18520815 0.72 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22326770 0.70 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22571151 0.70 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22571152 0.68 PI4KA (0.50) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18510391 0.68 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22381523 0.67 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3PI4KA

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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 — — 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ADORA2A 72/4885ADORA1 36/4885ADORA2B 150/4885

“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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