SCHEMBL4894825

SCHEMBL4894825

Nc1ncnc2c1ncn2[C@@H]1CC[C@H](CO)[C@@H](O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.64
ADORA2B P29275 3/20 0.63
AHCY P23526 2/20 0.63
ADCY5 O95622 9/20 0.60
ADORA3 P0DMS8 3/20 0.59
ADORA1 P30542 3/20 0.59
PI4KA P42356 3/20 0.58
PI4K2B Q8TCG2 3/20 0.58
PI4K2A Q9BTU6 3/20 0.58
PI4KB Q9UBF8 3/20 0.58

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
SCHEMBL12858753 1.00 ADORA2A (0.64) ADORA2AADORA2BAHCYADCY5ADORA3
SCHEMBL9309056 0.91 ADORA2A (0.69) ADORA2AADORA2BAHCYADCY5ADORA3
SCHEMBL9308668 0.91 ADORA2A (0.69) ADORA2AADORA2BAHCYADCY5ADORA3
SCHEMBL9687054 0.90 AHCY (0.66) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL12157236 0.90 AHCY (0.66) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL12173989 0.90 AHCY (0.66) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL9308490 0.86 AHCY (0.70) ADORA2AADORA2BAHCYADCY5ADORA3
SCHEMBL10474172 0.84 ADCY5 (0.74) ADORA2AADORA2BAHCYADCY5ADORA3
SCHEMBL9311283 0.83 AHCY (0.83) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL9309719 0.83 AHCY (0.83) ADORA2AADORA2BAHCYADORA3ADORA1

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-20080176813-A1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH STICHTING REGA VZW (BE) 2008-07-24 US disclosed
EP-1210347-B1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH STICHTING REGA V Z W (BE) 2004-06-23 EP 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-20080176813-A1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH ATIC, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885AHCY 151/4885

“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.