SCHEMBL4551409

SCHEMBL4551409

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2cncnc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.54
▸ PRMT5 O14744 1/20 0.50
▸ WDR77 Q9BQA1 1/20 0.50
▸ ADORA3 P0DMS8 10/20 0.48
▸ ADORA1 P30542 7/20 0.47
▸ ADORA2B P29275 4/20 0.47
▸ ADA P00813 2/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38
▸ P2RY2 P41231 1/20 0.36
▸ P2RY4 P51582 1/20 0.36

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
SCHEMBL5083241 1.00 ADORA2A (0.54) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL731577 0.83 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL19536253 0.83 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL19536251 0.83 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL5844191 0.83 ADORA2A (0.58) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL4552286 0.81 ADORA2A (0.50) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL4001514 0.80 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6727038 0.79 PRMT5 (0.46) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL6727224 0.79 PRMT5 (0.46) ADORA2APRMT5WDR77ADORA3ADORA1
SCHEMBL16311924 0.79 ADORA2A (0.56) ADORA2APRMT5WDR77ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459582-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-06-06 — — EP disclosed
US-7629320-B2 Nucleoside derivatives for treating hepatitis C virus infection SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-20080249060-A1 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. 2008-10-09 — — US disclosed
US-7425547-B2 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. (US) 2008-09-16 — — US disclosed
EP-1572097-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-09-14 — — EP disclosed
US-20040147464-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-07-29 — — US disclosed
WO-2004028481-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2004-04-08 — — 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-20080249060-A1 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION HAVCR2, PNP, NTPCR ADORA2A 174/4885PRMT5 2120/4885WDR77 2755/4885
US-20040147464-A1 Nucleoside derivatives for treating hepatitis C virus infection HAVCR2, PNP, NTPCR ADORA2A 174/4885PRMT5 2120/4885WDR77 2755/4885

“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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