SCHEMBL21759014

SCHEMBL21759014

CNC(C)n1nnc2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.44
ADORA1 P30542 12/20 0.44
ADORA2B P29275 9/20 0.44
PI4KA P42356 6/20 0.44
PI4K2B Q8TCG2 6/20 0.44
PI4K2A Q9BTU6 6/20 0.44
PI4KB Q9UBF8 6/20 0.44
ADORA3 P0DMS8 4/20 0.41
PDE8B O95263 1/20 0.36
AHCY P23526 1/20 0.36
HSPA8 P11142 1/20 0.34

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
SCHEMBL754966 0.83 ADORA2A (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23185942 0.82 ADORA2A (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24239256 0.81 ADORA2A (0.43) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21943159 0.78 ADORA2A (0.57) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21127683 0.76 ADORA2A (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21138132 0.75 MAP4K4 (0.44) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21942687 0.73 ADORA2A (0.44) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21126202 0.73 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21138224 0.73 RET (0.42) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL763189 0.71 ADORA2A (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA2A 69/4885ADORA1 36/4885ADORA2B 144/4885

“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.