SCHEMBL21118872

SCHEMBL21118872

COc1ccc(CO[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(C)ncnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 4/20 0.60
▸ ADORA1 P30542 2/20 0.57
▸ PRKAG1 P54619 1/20 0.54
▸ PRKAA1 Q13131 1/20 0.54
▸ PRKAB1 Q9Y478 1/20 0.54
▸ ADORA2A P29274 4/20 0.51
▸ ADORA2B P29275 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL22139844 0.90 ADORA1 (0.61) SLC29A1ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL26360925 0.90 ADORA1 (0.61) SLC29A1ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL18512901 0.83 MEN1 (0.66) SLC29A1ADORA1ADORA2AADORA2BMEN1
SCHEMBL22393065 0.83 ADORA3 (0.61) SLC29A1ADORA1ADORA2AADORA2BMEN1
SCHEMBL22402607 0.83 ADORA3 (0.61) SLC29A1ADORA1ADORA2AADORA2BMEN1
SCHEMBL26298122 0.82 ADORA1 (0.57) SLC29A1ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL2221275 0.81 ADORA2A (0.61) SLC29A1ADORA1ADORA2AADORA2BADORA3
SCHEMBL2221268 0.81 ADORA2A (0.61) SLC29A1ADORA1ADORA2AADORA2BADORA3
SCHEMBL2220833 0.80 ADORA1 (0.58) SLC29A1ADORA1ADORA2AADORA2BMEN1
SCHEMBL2220825 0.80 ADORA1 (0.58) SLC29A1ADORA1ADORA2AADORA2BMEN1

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-20190185511-A1 LOCKED NUCLEIC ACID CYCLIC DINUCLEOTIDE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-06-20 — — 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-20190185511-A1 LOCKED NUCLEIC ACID CYCLIC DINUCLEOTIDE COMPOUNDS AND USES THEREOF STING1, TLR9, IFNAR1 SLC29A1 356/4885ADORA1 336/4885PRKAG1 857/4885

“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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