SCHEMBL18352589

SCHEMBL18352589

CNc1nc(-n2cc(-c3cnccn3)nn2)nc2c1ncn2[C@@H]1C2C[C@]2(C(C)=O)C(O)[C@H]1O

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 11/20 0.87
▸ TMIGD3 P0DMS9 10/20 0.87

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
SCHEMBL16774406 0.93 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL24615095 0.93 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL20122116 0.93 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL18352573 0.90 ADORA3 (0.87) ADORA3TMIGD3
SCHEMBL18352665 0.89 ADORA3 (0.87) ADORA3TMIGD3
SCHEMBL18352997 0.87 ADORA3 (0.87) ADORA3TMIGD3
SCHEMBL18352616 0.87 TMIGD3 (0.87) ADORA3TMIGD3
SCHEMBL18353092 0.85 ADORA3 (0.66) ADORA3TMIGD3
SCHEMBL18352445 0.85 ADORA3 (0.76) ADORA3TMIGD3
SCHEMBL18352447 0.84 ADORA3 (0.88) ADORA3TMIGD3

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-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 — — US disclosed
US-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 — — 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-20170002007-A1 A3 ADENOSINE RECEPTOR AGONISTS ADORA3, ADORA2B, ADORA1 ADORA3 1/4885TMIGD3 3634/4885

“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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