SCHEMBL5508666

SCHEMBL5508666

C#C[C@H]1O[C@@H](n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.72
ADORA3 P0DMS8 6/20 0.72
ADORA2A P29274 5/20 0.72
ADORA2B P29275 2/20 0.72
SLC28A1 O00337 1/20 0.72
SLC29A1 Q99808 1/20 0.72

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
SCHEMBL6382260 1.00 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL5506309 0.94 ADORA1 (0.64) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6257614 0.94 ADORA2A (0.69) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6259026 0.90 AHCY (0.65) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6266706 0.90 AHCY (0.65) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL5507638 0.88 ADORA2A (0.67) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL5507634 0.88 ADORA2A (0.67) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL5504529 0.88 ADORA2A (0.70) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL5992981 0.88 ADORA2A (0.67) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL16039098 0.87 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2BSLC28A1

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-20060135467-A1 Partial and full agonists of A1 adenosine receptors ZABLOCKI JEFF 2006-06-22 US claimed
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-03-04 US claimed
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 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885

“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.