SCHEMBL6422652

SCHEMBL6422652

C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.37
ADORA2A P29274 6/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
NT5E P21589 2/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL6424993 0.82 ADORA2A (0.54) ADORA3ADORA2ADRD2SLC6A4ADORA2B
SCHEMBL6426137 0.80 ADORA2A (0.38) ADORA3ADORA2ADDB1CRBNIKZF3
SCHEMBL6426572 0.79 ADORA3 (0.37) ADORA3ADORA2ADDB1CRBNIKZF3
SCHEMBL19535627 0.76 ADORA2A (0.39) ADORA3ADORA2ANT5EADORA2BADORA1
SCHEMBL21006404 0.76 ADORA2A (0.43) ADORA3ADORA2ANT5EADORA2BADORA1
SCHEMBL21008027 0.76 ADORA2A (0.43) ADORA3ADORA2ANT5EADORA2BADORA1
SCHEMBL19535494 0.76 ADORA2A (0.43) ADORA3ADORA2ANT5EADORA2BADORA1
SCHEMBL19536682 0.74 ADORA2A (0.36) ADORA2A
SCHEMBL19535315 0.74 ADORA2A (0.36) ADORA2A
SCHEMBL8371824 0.74 ADORA3 (0.56) ADORA3ADORA2ATDP1

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 6 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
US-20040063658-A1 Nucleoside derivatives for treating hepatitis C virus infection GENELABS TECHNOLOGIES, INC. 2004-04-01 US 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 ADORA3 170/4885ADORA2A 174/4885DDB1 583/4885

“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.