SCHEMBL22326753

SCHEMBL22326753

COc1ncnc2c1ncn2C(N)N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ PI4KA P42356 2/20 0.46
▸ PI4K2B Q8TCG2 2/20 0.46
▸ PI4K2A Q9BTU6 2/20 0.46
▸ PI4KB Q9UBF8 2/20 0.46
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ HPGD P15428 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
SCHEMBL22399690 0.89 ADORA2A (0.49) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22399611 0.89 ADORA2A (0.49) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL6364118 0.85 ADORA2A (0.60) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19350814 0.81 ADORA2A (0.48) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5699095 0.77 FLT4 (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4379586 0.75 ADORA1 (0.56) ADORA2AADORA1FLT4KDRTAAR1
SCHEMBL21127815 0.74 ADORA2A (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19987154 0.74 FLT4 (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL9503851 0.74 FLT4 (0.49) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24205301 0.73 FLT4 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
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 (2 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 72/4885ADORA1 36/4885ADORA2B 150/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ADORA2A 73/4885ADORA1 32/4885ADORA2B 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.

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