SCHEMBL22326729

SCHEMBL22326729

CCn1cnc2c(NCCO)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.66
▸ ADORA1 P30542 5/20 0.66
▸ TMIGD3 P0DMS9 4/20 0.66
▸ HTT P42858 1/20 0.66
▸ ADORA2B P29275 1/20 0.66
▸ PI4KA P42356 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ PI4K2A Q9BTU6 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ CDK1 P06493 5/20 0.51
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ CCNB2 O95067 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCNB3 Q8WWL7 1/20 0.48
▸ PKM P14618 1/20 0.45

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
SCHEMBL22326727 0.88 ADORA2A (0.69) ADORA2AADORA1TMIGD3HTTADORA2B
SCHEMBL18520056 0.82 YTHDC1 (0.61) ADORA2AADORA1TMIGD3HTTCDK1
SCHEMBL22326757 0.82 HTT (0.62) ADORA2AADORA1TMIGD3HTTADORA2B
SCHEMBL5051776 0.80 ADORA2A (0.60) ADORA2AADORA1TMIGD3HTTADORA2B
SCHEMBL5839632 0.80 CDK1 (0.71) CDK1CCNB2CCNB1CCNB3
SCHEMBL18548917 0.80 YTHDC1 (0.62) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL21275931 0.79 ADORA2A (0.59) ADORA2AADORA1TMIGD3HTTADORA2B
SCHEMBL25737286 0.79 CDK1 (0.55) HTTCDK1
SCHEMBL21943153 0.79 CDK1 (0.61) ADORA2AADORA1TMIGD3HTTADORA2B
SCHEMBL18520987 0.79 HTT (0.58) ADORA2AADORA1TMIGD3HTTADORA2B

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 72/4885ADORA1 36/4885TMIGD3 1617/4885

“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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