SCHEMBL3727163

SCHEMBL3727163

CNC(=O)[C@@]12C[C@@H]1[C@H](n1cnc3c(NC)nc(N)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 1.00
▸ ADORA1 P30542 2/20 1.00
▸ HSP90B1 P14625 2/20 0.71
▸ TMIGD3 P0DMS9 1/20 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
SCHEMBL25566685 0.90 ADORA3 (0.82) ADORA3ADORA1HSP90B1TMIGD3
SCHEMBL19799152 0.89 ADORA3 (0.80) ADORA3ADORA1TMIGD3
SCHEMBL25612586 0.88 ADORA3 (1.00) ADORA3ADORA1HSP90B1TMIGD3
SCHEMBL25566677 0.88 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL25566630 0.86 ADORA3 (0.75) ADORA3ADORA1TMIGD3
SCHEMBL25566749 0.84 ADORA3 (0.82) ADORA3ADORA1TMIGD3
SCHEMBL19459913 0.84 HSP90B1 (0.80) ADORA3ADORA1HSP90B1TMIGD3
SCHEMBL19799159 0.84 HSP90B1 (0.80) ADORA3ADORA1HSP90B1TMIGD3
SCHEMBL30255447 0.84 ADORA3 (1.00) ADORA3
SCHEMBL16774178 0.84 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-7825126-B2 Purine derivatives as A3 and A1 adenosine receptor agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 — — US disclosed
US-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND H (MD) 2007-10-04 — — 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-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists ADORA1, ADORA3, ADORA2A ADORA3 2/4885ADORA1 1/4885HSP90B1 2806/4885

“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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