SCHEMBL22399690

SCHEMBL22399690

COc1ncnc2c1ncn2[C@H](C)N

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.49
▸ ADORA2B P29275 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ PI4K2A Q9BTU6 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CCNB2 O95067 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ CCNB3 Q8WWL7 3/20 0.40
▸ HPGD P15428 1/20 0.36
▸ ADA P00813 1/20 0.36

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
SCHEMBL22399611 1.00 ADORA2A (0.49) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL22326753 0.89 ADORA2A (0.46) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL6364118 0.87 ADORA2A (0.60) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL22459061 0.83 PI4KA (0.45) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL19350814 0.83 ADORA2A (0.48) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL24205121 0.78 ADORA2A (0.77) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL18521145 0.78 ADORA2A (0.77) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL22399292 0.78 ADORA2A (0.53) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL24409387 0.77 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL21539218 0.77 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA2A 73/4885ADORA2B 144/4885ADORA1 32/4885

“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.

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