SCHEMBL6809452

SCHEMBL6809452

COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 1.00
ADORA1 P30542 7/20 0.80
ADORA2A P29274 5/20 0.80
ADORA2B P29275 3/20 0.79
MEN1 O00255 1/20 0.79
CYP1A2 P05177 1/20 0.79
MAPK1 P28482 1/20 0.79
KMT2A Q03164 1/20 0.79
RXFP1 Q9HBX9 1/20 0.78
NT5E P21589 2/20 0.75

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
SCHEMBL6809456 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL14906327 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL5354686 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL5354685 0.90 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6660843 0.90 ADORA3 (0.81) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6660828 0.90 ADORA3 (0.81) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL14903065 0.90 ADORA3 (0.84) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL13454895 0.90 ADORA3 (0.84) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL12221416 0.89 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3950346 0.89 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2004-07-08 US claimed

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-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885ADORA2A 1/4885

“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.