SCHEMBL6762866

SCHEMBL6762866

CNc1nc(OC)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.75
▸ ADORA1 P30542 13/20 0.75
▸ ADORA2A P29274 8/20 0.75
▸ ADORA2B P29275 5/20 0.75
▸ HTR2A P28223 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63

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
SCHEMBL8818705 0.92 ADORA3 (0.78) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL8818683 0.92 ADORA3 (0.78) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29135399 0.87 ADORA3 (0.78) ADORA3ADORA1ADORA2AADORA2BHTR2A
SCHEMBL28884590 0.87 ADORA2A (0.78) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7944662 0.87 ADORA2A (0.78) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL14030783 0.87 ADORA2A (0.78) ADORA3ADORA1ADORA2AADORA2B
Bvt.115959 SCHEMBL24838605 0.86 ADORA2A (1.00) ADORA3ADORA1ADORA2AADORA2B
Bvt.115959 SCHEMBL13224527 0.86 ADORA2A (1.00) ADORA3ADORA1ADORA2AADORA2B
Bvt.115959 SCHEMBL13224547 0.86 ADORA2A (1.00) ADORA3ADORA1ADORA2AADORA2B
Bvt.115959 SCHEMBL13863558 0.86 ADORA2A (1.00) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 — — US claimed
CN-1466591-A Nucleoside derivatives - 2004-01-07 — — CN claimed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 — — US claimed
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 — — US disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 — — WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 — — EP disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 — — US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 — — 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 (2 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 ADORA3 102/4885ADORA1 197/4885ADORA2A 70/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 ADORA3 102/4885ADORA1 197/4885ADORA2A 70/4885

“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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