SCHEMBL13523344

SCHEMBL13523344

CC1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@](C)(O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.48
▸ STING1 Q86WV6 3/20 0.48
▸ HINT1 P49773 3/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ PNP P00491 1/20 0.45
▸ NT5E P21589 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL12151766 0.90 ADORA3 (0.49) ADORA3STING1HINT1ADORA2APDE3B
SCHEMBL16330663 0.90 ADORA3 (0.49) ADORA3STING1HINT1ADORA2APDE3B
SCHEMBL15941721 0.88 ADORA3 (0.48) ADORA3STING1HINT1PDE3BPDE3A
SCHEMBL21232906 0.88 ADORA3 (0.48) ADORA3STING1HINT1PDE3BPDE3A
2'-B-Methyl-Guanosine SCHEMBL14853673 0.86 ADORA2A (0.65) ADORA3STING1HINT1ADORA2ANT5E
2'-B-Methyl-Guanosine SCHEMBL21007207 0.86 ADORA2A (0.65) ADORA3STING1HINT1ADORA2ANT5E
2'-B-Methyl-Guanosine SCHEMBL18537392 0.86 ADORA2A (0.65) ADORA3STING1HINT1ADORA2ANT5E
2'-B-Methyl-Guanosine SCHEMBL14842089 0.86 ADORA2A (0.65) ADORA3STING1HINT1ADORA2ANT5E
SCHEMBL15019642 0.86 ADORA2A (0.54) ADORA3STING1HINT1ADORA2APDE3B
2'-B-Methyl-Guanosine SCHEMBL12758165 0.86 ADORA2A (0.65) ADORA3STING1HINT1ADORA2ANT5E

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-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections CRETTON-SCOTT ERIKA 2010-01-07 — — 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-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GOT1 ADORA3 1277/4885STING1 146/4885HINT1 351/4885

“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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