SCHEMBL18352574

SCHEMBL18352574

CC(=O)[C@]12CC1[C@@H](n1cnc3c(NCCc4ccccc4)nc(I)nc31)[C@H](O)C2O

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.85
▸ ADORA1 P30542 5/20 0.85
▸ TMIGD3 P0DMS9 4/20 0.85
▸ ADORA2A P29274 2/20 0.66
▸ SLC6A2 P23975 1/20 0.58
▸ TMEM97 Q5BJF2 1/20 0.58

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
SCHEMBL18358010 0.92 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL20122155 0.92 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL18352575 0.86 ADORA3 (0.86) ADORA3ADORA1TMIGD3ADORA2ASLC6A2
SCHEMBL18353094 0.85 ADORA3 (0.71) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL18352610 0.82 ADORA3 (0.75) ADORA3ADORA1TMIGD3ADORA2ASLC6A2
SCHEMBL25566749 0.82 ADORA3 (0.82) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL18352476 0.79 ADORA3 (0.83) ADORA3ADORA1TMIGD3ADORA2ATMEM97
SCHEMBL16774409 0.78 ADORA3 (0.67) ADORA3ADORA1TMIGD3ADORA2ASLC6A2
SCHEMBL16774179 0.78 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL20122073 0.78 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A

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 1/4885ADORA1 3/4885TMIGD3 3634/4885

“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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