SCHEMBL6385363

SCHEMBL6385363

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(-c3ccccc3)nc(N)nc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.46
▸ ADORA3 P0DMS8 5/20 0.45
▸ ADA P00813 1/20 0.42
▸ SLC29A1 Q99808 2/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ ADORA2B P29275 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ MGMT P16455 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
SCHEMBL474846 0.85 ADORA2A (0.53) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL12154572 0.85 ADORA2A (0.53) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL12031227 0.85 ADORA2A (0.53) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL12150880 0.85 ADORA2A (0.53) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL5481579 0.84 ADORA2A (0.49) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL6730328 0.83 ADORA2A (0.53) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL1737904 0.83 ADORA2A (0.53) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL6383367 0.83 ADORA2A (0.62) ADORA2AADORA3ADASLC29A1ADORA2B
SCHEMBL6388400 0.81 ADORA2A (0.46) ADORA2AADORA3ADASLC29A1PDE4D
SCHEMBL732950 0.78 ADORA3 (0.52) ADORA2AADORA3ADAADORA2BADORA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 — — EP claimed
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 — — US claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 — — WO claimed
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 — — EP disclosed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 — — WO 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 174/4885ADORA3 170/4885ADA 13/4885

“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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