SCHEMBL472571

SCHEMBL472571

Nc1ncnc2c1nc(C1CCCC1)n2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 4/20 0.72
HSPA5 P11021 3/20 0.72
RXFP1 Q9HBX9 1/20 0.66
GAPDH P04406 3/20 0.63
HSD17B10 Q99714 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
HBB P68871 1/20 0.62
ADORA3 P0DMS8 3/20 0.59
SLC28A2 O43868 3/20 0.58
DPP4 P27487 1/20 0.57
MEN1 O00255 1/20 0.57
SLC28A1 O00337 1/20 0.57
MAP3K7 O43318 1/20 0.57
MAPK1 P28482 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
STAT6 P42226 1/20 0.57

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
SCHEMBL472569 1.00 HSPA8 (0.72) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL7254007 0.91 EGFR (0.60) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL7254000 0.90 HSPA5 (0.59) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL6825589 0.85 HSPA8 (0.61) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL1145049 0.84 HSPA8 (1.00) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL17412455 0.84 HSPA8 (1.00) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL1145052 0.84 HSPA8 (1.00) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL7258842 0.83 ADORA3 (0.69) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL7258849 0.83 ADORA3 (0.69) HSPA8HSPA5RXFP1GAPDHHSD17B10
SCHEMBL1135195 0.83 HSPA8 (0.80) HSPA8HSPA5RXFP1GAPDHHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412716-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2012-02-01 EP disclosed
US-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 US disclosed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 US disclosed
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 US disclosed
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors IBRAHIM PRABHA 2006-12-21 US disclosed
US-7144871-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-12-05 US disclosed
EP-1590359-A2 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV Therapeutics Inc. (US) 2005-11-02 EP disclosed
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 US disclosed
WO-2004069185-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC. (US) 2004-08-19 WO disclosed
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2003-12-18 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 (4 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-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, ADORA3 HSPA8 1960/4885HSPA5 3596/4885RXFP1 307/4885
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 HSPA8 1960/4885HSPA5 3596/4885RXFP1 307/4885
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 HSPA8 2241/4885HSPA5 3957/4885RXFP1 294/4885
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 HSPA8 2062/4885HSPA5 3332/4885RXFP1 274/4885

“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.