SCHEMBL11354488

SCHEMBL11354488

CNC(=O)[C@]12CC1[C@@H](n1cnc3c(NC)nc(-c4ccccc4Cl)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.74
▸ ADORA1 P30542 2/20 0.74
▸ TMIGD3 P0DMS9 2/20 0.72
▸ ADORA2A P29274 2/20 0.64

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
SCHEMBL11357266 0.90 ADORA3 (0.72) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL25612586 0.85 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL16774186 0.84 TMIGD3 (1.00) ADORA3TMIGD3
SCHEMBL21779335 0.84 TMIGD3 (1.00) ADORA3TMIGD3
SCHEMBL24615097 0.84 TMIGD3 (1.00) ADORA3TMIGD3
SCHEMBL16361551 0.84 ADORA3 (1.00) ADORA3TMIGD3ADORA2A
SCHEMBL19799152 0.82 ADORA3 (0.80) ADORA3ADORA1TMIGD3
SCHEMBL11348912 0.82 ADORA3 (0.74) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL3727163 0.81 ADORA3 (1.00) ADORA3ADORA1TMIGD3
SCHEMBL25566677 0.81 ADORA3 (1.00) ADORA3ADORA1TMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885TMIGD3 1888/4885

“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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