SCHEMBL23097508

SCHEMBL23097508

CNC(=O)C1(C)C[C@@H](n2cnc3c(NC)nc(C#Cc4cc[nH]n4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.56

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
SCHEMBL21939669 0.86 ADORA3 (0.71) ADORA3
SCHEMBL22359582 0.86 ADORA3 (0.58) ADORA3
SCHEMBL30255514 0.85 ADORA3 (0.76) ADORA3
SCHEMBL20122175 0.85 ADORA3 (0.76) ADORA3
SCHEMBL16774173 0.85 ADORA3 (0.76) ADORA3
SCHEMBL23097520 0.85 ADORA3 (0.75) ADORA3
SCHEMBL22359601 0.85 ADORA3 (0.75) ADORA3
SCHEMBL20122123 0.84 ADORA3 (0.75) ADORA3
SCHEMBL23097648 0.82 ADORA3 (0.59) ADORA3
SCHEMBL23097630 0.82 ADORA3 (0.75) 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-20220117985-A1 TREATMENT OF CHRONIC HEADACHES UNIVERSITY OF MARYLAND, BALTIMORE 2022-04-21 — — US disclosed
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP 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-20220117985-A1 TREATMENT OF CHRONIC HEADACHES ADORA3, ADORA2B, ADORA2A ADORA3 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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