SCHEMBL5506522

SCHEMBL5506522

CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C=O)O[C@H]2n1cnc2c(NC3CCCC3)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.55
ADORA2B P29275 3/20 0.55
ADORA3 P0DMS8 4/20 0.53
TSHR P16473 2/20 0.52
PMP22 Q01453 2/20 0.52
ADORA1 P30542 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC29A1 Q99808 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5503630 1.00 ADORA2A (0.55) ADORA2AADORA2BADORA3TSHRPMP22
SCHEMBL5996922 1.00 ADORA2A (0.55) ADORA2AADORA2BADORA3TSHRPMP22
SCHEMBL5507476 0.99 ADORA2A (0.56) ADORA2AADORA2BADORA3TSHRPMP22
SCHEMBL5506216 0.98 ADORA2A (0.52) ADORA2AADORA2BADORA3TSHRPMP22
SCHEMBL5505577 0.91 ADORA1 (0.49) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL5502447 0.89 ADORA1 (0.54) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL6387391 0.89 ADORA1 (0.54) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL5506065 0.88 ADORA3 (0.44) ADORA2AADORA2BADORA3ADORA1
SCHEMBL5507727 0.87 ADORA3 (0.44) ADORA2AADORA2BADORA3ADORA1RXFP1
SCHEMBL5504137 0.86 PI4KA (0.46) ADORA2AADORA2BADORA3ADORA1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537133-B1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC (US) 2007-07-25 EP disclosed
US-20060135467-A1 Partial and full agonists of A1 adenosine receptors ZABLOCKI JEFF 2006-06-22 US disclosed
US-7022681-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-04-04 US disclosed
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-03-04 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 (2 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-20060135467-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885ADORA3 3/4885
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885ADORA3 3/4885

“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.