SCHEMBL11299472

SCHEMBL11299472

CC(=O)[C@]12CC1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4ccc(-c5ccccc5)cc4)nc31)[C@H](O)C2O

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.88
▸ ADORA1 P30542 6/20 0.75
▸ ADORA2A P29274 2/20 0.75
▸ ABCG2 Q9UNQ0 1/20 0.72
▸ KCNH2 Q12809 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
SCHEMBL11300753 0.96 ADORA3 (0.87) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL16361900 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL29527265 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL11346561 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL10322316 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL24615110 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL11299603 0.93 ADORA3 (0.78) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL11300625 0.90 ADORA3 (0.80) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL11301993 0.89 ADORA3 (0.87) ADORA3ADORA1ADORA2AABCG2KCNH2
SCHEMBL10322107 0.89 ADORA3 (1.00) ADORA3ADORA1ADORA2AABCG2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916570-B2 A3 adenosine receptor agonists and antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-12-23 — — US disclosed
US-20120184569-A1 A3 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2012-07-19 — — 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-20120184569-A1 A3 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS ADORA3, ADORA1, ADORA2A ADORA3 1/4885ADORA1 2/4885ADORA2A 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.

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