SCHEMBL14906451

SCHEMBL14906451

COC1[C@H](n2cnc3c(N)nc(N/N=C/C4CCCCC4)nc32)O[C@H](CO)[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.80
ADORA1 P30542 6/20 0.80
ADORA2B P29275 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
Binodenoson SCHEMBL8922719 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL12877884 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL10089218 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL724955 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL724956 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL23898649 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL940135 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL8932230 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL29379829 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3
Binodenoson SCHEMBL13259764 0.90 ADORA2A (0.98) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS The united States of America,as represented by Secretary,Dept.,of Health and Human Services (US) 2013-05-02 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-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS NT5E, NT5C2, NT5C3B ADORA2A 4/4885ADORA1 9/4885ADORA2B 10/4885

“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.