SCHEMBL5034818

SCHEMBL5034818

Cc1nc2c(N)nc(Cl)nc2n1[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 4/20 0.55
HSPA5 P11021 2/20 0.55
AMD1 P17707 4/20 0.54
ADORA3 P0DMS8 2/20 0.53
PDE2A O00408 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
ADRA1A P35348 1/20 0.53
PDE4D Q08499 1/20 0.53
PDE3A Q14432 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
GAPDH P04406 2/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
SLC28A2 O43868 2/20 0.48

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
SCHEMBL14075810 1.00 HSPA8 (0.55) HSPA8HSPA5AMD1ADORA3PDE2A
SCHEMBL5034807 1.00 HSPA8 (0.55) HSPA8HSPA5AMD1ADORA3PDE2A
SCHEMBL18740403 0.88 HSPA8 (0.57) HSPA8HSPA5AMD1RXFP1GAPDH
SCHEMBL14075808 0.88 HSPA8 (0.57) HSPA8HSPA5AMD1RXFP1GAPDH
SCHEMBL28638932 0.86 LMNA (0.61) HSPA8HSPA5AMD1RXFP1GAPDH
SCHEMBL5032461 0.86 NADK (0.54) HSPA8HSPA5ADORA3PDE2AADORA2A
SCHEMBL14075812 0.86 NADK (0.54) HSPA8HSPA5ADORA3PDE2AADORA2A
SCHEMBL3878434 0.86 NADK (0.54) HSPA8HSPA5ADORA3PDE2AADORA2A
SCHEMBL13855567 0.84 ADORA3 (0.61) HSPA8AMD1ADORA3ADORA2AADORA1
SCHEMBL13787725 0.82 HSPA8 (0.56) HSPA8HSPA5AMD1ADORA3RXFP1

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 9 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 claimed
CN-1946732-A Adenosine receptor agonists CAMBRIDGE BIOTECHNOLOGY LTD (GB) 2007-04-11 CN claimed
EP-1749016-A2 ADENOSINE RECEPTOR AGONISTS Cambridge Biotechnology Ltd (GB) 2007-02-07 EP claimed
WO-2005084653-A2 ADENOSINE RECEPTOR AGONISTS CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2005-09-15 WO claimed
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

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 HSPA8 3333/4885HSPA5 1987/4885AMD1 2593/4885

“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.