SCHEMBL18352999

SCHEMBL18352999

CNc1cc(C#Cc2ccc(C)s2)nc2c1ncn2[C@@H]1C2C[C@]2(C(C)=O)C(O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.73
▸ TMIGD3 P0DMS9 9/20 0.63
▸ HTR2B P41595 2/20 0.63
▸ SLC6A3 Q01959 8/20 0.62
▸ ADORA1 P30542 2/20 0.62
▸ SLC6A2 P23975 6/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ HTR2C P28335 2/20 0.53
▸ CHRM5 P08912 1/20 0.53

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
SCHEMBL20121269 1.00 ADORA3 (0.73) ADORA3TMIGD3HTR2BSLC6A3ADORA1
SCHEMBL18353051 0.92 ADORA3 (0.73) ADORA3TMIGD3HTR2BSLC6A3ADORA1
SCHEMBL18353050 0.92 ADORA3 (0.62) ADORA3TMIGD3HTR2BSLC6A3ADORA1
SCHEMBL20121270 0.92 ADORA3 (0.73) ADORA3TMIGD3HTR2BSLC6A3ADORA1
SCHEMBL20121271 0.92 ADORA3 (0.62) ADORA3TMIGD3HTR2BSLC6A3ADORA1
SCHEMBL18352619 0.91 ADORA3 (0.87) ADORA3TMIGD3HTR2BSLC6A3ADORA1
SCHEMBL20121272 0.85 TMIGD3 (0.73) ADORA3TMIGD3SLC6A3ADORA1SLC6A2
SCHEMBL18352471 0.85 TMIGD3 (0.73) ADORA3TMIGD3SLC6A3ADORA1SLC6A2
SCHEMBL16774209 0.84 ADORA3 (1.00) ADORA3TMIGD3HTR2BSLC6A3ADORA1
SCHEMBL16774322 0.84 ADORA3 (1.00) ADORA3TMIGD3HTR2BSLC6A3ADORA1

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 3634/4885HTR2B 168/4885

“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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