SCHEMBL18352475

SCHEMBL18352475

CNc1nc(-n2cc(-c3ccccc3Cl)nn2)nc2c1ncn2[C@@H]1C2C[C@]2(C(C)=O)C(O)[C@H]1O

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 10/20 0.89
▸ ADORA3 P0DMS8 11/20 0.70

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
SCHEMBL24615097 0.94 TMIGD3 (1.00) TMIGD3ADORA3
SCHEMBL16774186 0.94 TMIGD3 (1.00) TMIGD3ADORA3
SCHEMBL21779335 0.94 TMIGD3 (1.00) TMIGD3ADORA3
SCHEMBL18352616 0.89 TMIGD3 (0.87) TMIGD3ADORA3
SCHEMBL18352573 0.88 ADORA3 (0.87) TMIGD3ADORA3
SCHEMBL18352665 0.87 ADORA3 (0.87) TMIGD3ADORA3
SCHEMBL18352447 0.85 ADORA3 (0.88) TMIGD3ADORA3
SCHEMBL18352445 0.85 ADORA3 (0.76) TMIGD3ADORA3
SCHEMBL18352446 0.84 ADORA3 (0.88) TMIGD3ADORA3
SCHEMBL20122115 0.84 TMIGD3 (1.00) TMIGD3ADORA3

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 TMIGD3 3634/4885ADORA3 1/4885

“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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