SCHEMBL6763667

SCHEMBL6763667

Nc1ncnc2c1nc(NCCCc1ccccc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.61
▸ ADORA2A P29274 1/20 0.61
▸ SLC28A2 O43868 13/20 0.57
▸ HSPA8 P11142 1/20 0.57
▸ ADORA1 P30542 1/20 0.52
▸ FBP1 P09467 1/20 0.48
▸ SLC29A1 Q99808 1/20 0.47

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
SCHEMBL6763669 1.00 ADORA3 (0.61) ADORA3ADORA2ASLC28A2HSPA8ADORA1
SCHEMBL6762489 0.97 ADORA3 (0.60) ADORA3ADORA2ASLC28A2HSPA8ADORA1
SCHEMBL6762479 0.97 ADORA3 (0.60) ADORA3ADORA2ASLC28A2HSPA8ADORA1
SCHEMBL6762570 0.97 ADORA3 (0.59) ADORA3ADORA2ASLC28A2HSPA8ADORA1
SCHEMBL6762581 0.97 ADORA3 (0.59) ADORA3ADORA2ASLC28A2HSPA8ADORA1
SCHEMBL6762482 0.95 ADORA3 (0.63) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL6762488 0.95 ADORA3 (0.63) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL6758906 0.89 SLC28A2 (0.71) ADORA3ADORA2ASLC28A2HSPA8
SCHEMBL6758895 0.89 SLC28A2 (0.71) ADORA3ADORA2ASLC28A2HSPA8
SCHEMBL7599209 0.86 ADORA3 (0.55) ADORA3ADORA2ASLC28A2HSPA8FBP1

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 102/4885ADORA2A 70/4885SLC28A2 34/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 ADORA3 102/4885ADORA2A 70/4885SLC28A2 34/4885

“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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