SCHEMBL24499103

SCHEMBL24499103

NNn1nnc2c(N)nccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 10/20 0.41
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
NOS3 P29474 3/20 0.32
NOS2 P35228 3/20 0.32
F12 P00748 1/20 0.32
PLAU P00749 1/20 0.32
NCF1 P14598 1/20 0.32
NOS1 P29475 1/20 0.32
BACE1 P56817 1/20 0.32
EZH2 Q15910 1/20 0.31
AHCYL1 O43865 1/20 0.31
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 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
SCHEMBL18520803 0.74 LMNA (0.53) AHCYADORA2AADORA2BADORA1NOS3
SCHEMBL22381518 0.71 ADORA2A (0.31) AHCYADORA2AADORA2B
SCHEMBL18521198 0.70 ADORA2A (0.41) ADORA2AADORA2BADORA1LMNANPC1
SCHEMBL23843794 0.70 ADORA2A (0.41) AHCYADORA2AADORA2BADORA1NOS3
SCHEMBL24453637 0.69 ADORA2A (0.42) AHCYADORA2AADORA2BADORA1
SCHEMBL21539316 0.69 AHCY (0.49) AHCYADORA2AADORA2BADORA1NOS3
SCHEMBL22326673 0.69 ADORA2A (0.43) AHCYADORA2AADORA2BADORA1NOS3
SCHEMBL22399384 0.66 GRM2 (0.38) AHCYADORA2AADORA2BADORA1NOS2
SCHEMBL21138251 0.66 HCAR3 (0.41) AHCYADORA2AADORA2BADORA1LMNA
SCHEMBL28661450 0.66 AHCY (0.34) AHCYADORA2AADORA2BADORA1RAB9A

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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 AHCY 2052/4885ADORA2A 177/4885ADORA2B 307/4885

“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.