SCHEMBL5032461

SCHEMBL5032461

Nc1nc(Cl)nc2c1nc(Br)n2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NADK O95544 2/20 0.54
ADORA3 P0DMS8 4/20 0.53
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
PDE2A O00408 1/20 0.53
ADRA1A P35348 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
HSPA8 P11142 3/20 0.52
HSPA5 P11021 2/20 0.52
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.47
PNP P00491 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.46
GAPDH P04406 1/20 0.46
SLC28A2 O43868 1/20 0.46
ADORA2B P29275 1/20 0.45

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
SCHEMBL3878434 1.00 NADK (0.54) NADKADORA3ADORA2AADORA1PDE2A
SCHEMBL14075812 1.00 NADK (0.54) NADKADORA3ADORA2AADORA1PDE2A
SCHEMBL5706688 0.86 NADK (0.54) NADKADORA3ADORA2AHSPA8HSPA5
SCHEMBL27626941 0.86 NADK (0.54) NADKHSPA8HSPA5LMNATP53
SCHEMBL6439878 0.86 NADK (0.54) NADKHSPA8HSPA5LMNATP53
SCHEMBL5706686 0.86 NADK (0.54) NADKADORA3ADORA2AHSPA8HSPA5
SCHEMBL14075810 0.86 HSPA8 (0.55) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL5034818 0.86 HSPA8 (0.55) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL5034807 0.86 HSPA8 (0.55) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL13787727 0.82 NADK (0.55) NADKADORA3HSPA8HSPA5LMNA

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
US-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
US-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
CN-1946732-A Adenosine receptor agonists CAMBRIDGE BIOTECHNOLOGY LTD (GB) 2007-04-11 CN disclosed
EP-1749016-A2 ADENOSINE RECEPTOR AGONISTS Cambridge Biotechnology Ltd (GB) 2007-02-07 EP disclosed
WO-2005084653-A2 ADENOSINE RECEPTOR AGONISTS CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2005-09-15 WO disclosed
US-4990498-A Tobacco mosaic virus TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1991-02-05 US 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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes ADORA3, ADORA2B, P2RX3 NADK 1592/4885ADORA3 1/4885ADORA2A 9/4885

“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.