SCHEMBL23619216

SCHEMBL23619216

CCCCn1cnc2c(N)ccnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.61
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
ADA P00813 1/20 0.51
ADORA1 P30542 2/20 0.49
ADORA2B P29275 1/20 0.49
PDE4B Q07343 3/20 0.47
SLC29A1 Q99808 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR8 Q9NR97 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13870044 0.84 ADORA2A (0.43) ADORA2ACYP1A2TSHRADAADORA1
SCHEMBL22571167 0.83 ADORA2A (0.57) ADORA2AADAADORA1ADORA2BPDE4B
SCHEMBL17232088 0.81 NSD3 (0.43) ADORA2AADAADORA1ADORA2BPI4KA
SCHEMBL18520341 0.80 NSD3 (0.48) ADORA2AADAADORA1ADORA2BKMT2A
SCHEMBL19575740 0.78 HRH2 (0.46) ADORA2ATLR9TLR7
SCHEMBL12620727 0.76 CCNE1 (0.47) ADORA2ACYP1A2ADAADORA1ADORA2B
SCHEMBL1074972 0.76 ADORA2A (1.00) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL23619314 0.75 HRH4 (0.45) ADORA2ACYP1A2TSHRADAPDE4B
SCHEMBL25001340 0.75 ADA (0.64) CYP1A2TSHRADAPDE4BALDH1A1
SCHEMBL15257716 0.75 NSD3 (0.41) ADORA2AADAADORA1ADORA2B

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 ADORA2A 70/4885CYP1A2 1793/4885TSHR 2299/4885

“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.