SCHEMBL22326673

SCHEMBL22326673

CC(N)n1nnc2c(N)nccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
ADA P00813 1/20 0.36
RET P07949 5/20 0.34
KDR P35968 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AHCY P23526 6/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL18521198 0.88 ADORA2A (0.41) ADORA2AADORA2BADORA1ADARET
SCHEMBL18520803 0.75 LMNA (0.53) ADORA2AADORA2BADORA1ADASMN1; SMN2
SCHEMBL21539463 0.73 ADA (0.36) ADAKDR
SCHEMBL23843794 0.71 ADORA2A (0.41) ADORA2AADORA2BADORA1ADAAHCY
SCHEMBL21539443 0.71 ADA (0.54) ADORA2AADORA2BADORA1ADASMN1; SMN2
SCHEMBL23185942 0.71 ADORA2A (0.47) ADORA2AADORA2BADORA1AHCY
SCHEMBL24499103 0.69 AHCY (0.41) ADORA2AADORA2BADORA1SMN1; SMN2AHCY
SCHEMBL23619352 0.69 NR4A2 (0.30)
SCHEMBL16747750 0.66 ADA (0.56) ADORA2AADORA2BADORA1ADASMN1; SMN2
SCHEMBL14134333 0.64 KDR (0.37) ADARETKDRSMN1; SMN2LMNA

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.