SCHEMBL18353149

SCHEMBL18353149

CNc1nc(I)nc2c1ncn2[C@@H]1C2C[C@]2(C(C)=O)C2OC(C)(C)O[C@H]21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.60
▸ HRH2 P25021 1/20 0.51
▸ HTR5A P47898 1/20 0.51
▸ ADORA1 P30542 7/20 0.50
▸ TMIGD3 P0DMS9 4/20 0.50
▸ P2RY1 P47900 2/20 0.44

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
SCHEMBL20122108 0.92 ADORA3 (0.69) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL18358011 0.92 ADORA3 (0.69) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL18352583 0.88 HRH2 (0.52) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL18353052 0.86 HRH2 (0.48) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL22757376 0.82 ADORA3 (0.56) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL18353150 0.82 HRH2 (0.51) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL22757377 0.81 ADORA3 (0.58) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL12269992 0.80 HRH2 (0.59) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL12269874 0.79 HSP90B1 (0.59) ADORA3HRH2HTR5AADORA1TMIGD3
SCHEMBL21758645 0.79 ADORA3 (0.57) ADORA3HRH2HTR5AADORA1TMIGD3

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-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
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

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 1/4885HRH2 204/4885HTR5A 171/4885

“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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