SCHEMBL6838587

SCHEMBL6838587

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2ccc(N)cc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.55
ADA P00813 1/20 0.46
ADORA3 P0DMS8 10/20 0.45
ADORA1 P30542 7/20 0.44
ADORA2B P29275 4/20 0.44
ALOX15 P16050 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
SLC29A1 Q99808 1/20 0.35
NT5E P21589 1/20 0.35

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
SCHEMBL6838571 0.92 ADORA2A (0.56) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6424993 0.83 ADORA2A (0.54) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6837549 0.83 ADORA2A (0.47) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6840000 0.80 ADORA2A (0.61) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL2912457 0.79 ADORA2A (0.54) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL6838014 0.77 ADORA2A (0.47) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL2908630 0.74 ADORA2A (0.63) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL24837637 0.74 ADORA2A (0.48) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL19402564 0.74 ADORA2A (0.48) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL19402570 0.74 ADORA2A (0.48) ADORA2AADAADORA3ADORA1ADORA2B

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-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 US claimed
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 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-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection HAVCR2, PNP, NTPCR ADORA2A 174/4885ADA 13/4885ADORA3 170/4885

“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.