SCHEMBL16774293

SCHEMBL16774293

CCNc1nc(C#Cc2cnccn2)nc2c1ncn2[C@H]1C(O)[C@H](O)[C@@]2(C(=O)NC)CC12

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.85
▸ TMIGD3 P0DMS9 2/20 0.80
▸ ADORA1 P30542 2/20 0.67

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
SCHEMBL18352469 0.92 ADORA3 (0.72) ADORA3TMIGD3ADORA1
SCHEMBL22359832 0.92 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL30255542 0.92 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL16774169 0.92 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL16774298 0.88 ADORA3 (0.66) ADORA3TMIGD3ADORA1
SCHEMBL18352466 0.85 ADORA3 (0.86) ADORA3TMIGD3
SCHEMBL16774146 0.82 ADORA3 (1.00) ADORA3TMIGD3ADORA1
SCHEMBL21779340 0.82 ADORA3 (1.00) ADORA3TMIGD3ADORA1
SCHEMBL16774402 0.82 ADORA3 (1.00) ADORA3TMIGD3ADORA1
SCHEMBL30255447 0.82 ADORA3 (1.00) ADORA3

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-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
WO-2015080940-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-04 — — WO 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 3634/4885ADORA1 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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