SCHEMBL22326755

SCHEMBL22326755

CCC(C)n1cnc2c(N)ccnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.61
ADORA2B P29275 4/20 0.61
ADORA1 P30542 3/20 0.61
ADA P00813 7/20 0.57
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
AHCY P23526 1/20 0.39
SLC29A1 Q99808 1/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
PDE4B Q07343 2/20 0.36
CCNB2 O95067 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PDE2A O00408 2/20 0.35
CYP3A4 P08684 2/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL800129 0.83 ADORA2A (0.57) ADORA2AADORA2BADORA1ADAPI4KA
SCHEMBL24236859 0.82 ADA (0.54) ADORA2AADORA2BADORA1ADAPI4KA
SCHEMBL29340205 0.79 ADORA2A (0.51) ADORA2AADORA2BADORA1ADACDK1
SCHEMBL25656618 0.79 ADORA2A (0.51) ADORA2AADORA2BADORA1ADAPI4KA
SCHEMBL25001340 0.78 ADA (0.64) ADAPDE4BPDE2ACYP3A4PDE4A
SCHEMBL4572183 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA1ADAPI4KA
SCHEMBL233401 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA1ADAPI4KA
SCHEMBL240049 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA1ADAPI4KA
SCHEMBL22381000 0.76 ADA (0.72) ADAPDE4BPDE2ACYP3A4PDE4A
SCHEMBL24499662 0.75 ADA (0.57) ADORA2AADORA2BADORA1ADAPI4KA

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 72/4885ADORA2B 150/4885ADORA1 36/4885

“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.