SCHEMBL20122176

SCHEMBL20122176

CNC(=O)C12CC1[C@@H](n1cnc3c(NC)nc(C#Cc4cccnc4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00
▸ ADORA2A P29274 2/20 0.76

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
SCHEMBL16774410 1.00 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL30255383 1.00 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL10323827 0.91 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL16361550 0.91 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL16774276 0.90 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL21758639 0.90 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL20122171 0.90 ADORA3 (1.00) ADORA3ADORA2A
SCHEMBL16774178 0.89 ADORA3 (1.00) ADORA3
SCHEMBL30255447 0.89 ADORA3 (1.00) ADORA3
SCHEMBL20122173 0.89 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 3 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
US-10577368-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-03-03 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10577368-B2 A3 adenosine receptor agonists ADORA3, ADORA2B, ADORA1 ADORA3 1/4885ADORA2A 4/4885
US-20220117985-A1 TREATMENT OF CHRONIC HEADACHES ADORA3, ADORA2B, ADORA2A ADORA3 1/4885ADORA2A 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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