SCHEMBL18352575

SCHEMBL18352575

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

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.86
▸ TMIGD3 P0DMS9 7/20 0.86
▸ ADORA2A P29274 2/20 0.86
▸ ADORA1 P30542 3/20 0.65
▸ SLC6A2 P23975 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.54

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
SCHEMBL16774179 0.92 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL20122073 0.92 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL18352617 0.86 ADORA3 (0.75) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL18352574 0.86 ADORA3 (0.85) ADORA3TMIGD3ADORA2AADORA1SLC6A2
SCHEMBL25566747 0.82 ADORA3 (0.76) ADORA3TMIGD3ADORA2AADORA1SLC6A2
SCHEMBL18352618 0.81 ADORA3 (0.84) ADORA3TMIGD3ADORA2AADORA1TMEM97
SCHEMBL21940217 0.80 ADORA3 (0.75) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL25566683 0.79 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL16774384 0.79 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1
SCHEMBL20122157 0.79 ADORA3 (1.00) ADORA3TMIGD3ADORA2AADORA1

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 1/4885TMIGD3 3634/4885ADORA2A 4/4885

“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.

Send feedback