SCHEMBL18352437

SCHEMBL18352437

CCCNc1nc(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 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 16/20 0.73
▸ SLC6A3 Q01959 6/20 0.73
▸ SLC6A2 P23975 5/20 0.73
▸ ADORA1 P30542 2/20 0.73
▸ ADORA2A P29274 2/20 0.73
▸ ADRB3 P13945 1/20 0.73
▸ TMIGD3 P0DMS9 4/20 0.61
▸ KCNH2 Q12809 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59

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
SCHEMBL18352993 0.95 ADORA3 (0.74) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352472 0.94 ADORA3 (0.72) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352610 0.91 ADORA3 (0.75) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352994 0.90 ADORA3 (0.73) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352471 0.90 TMIGD3 (0.73) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL20121272 0.90 TMIGD3 (0.73) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352587 0.89 ADORA3 (0.74) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352570 0.88 ADORA3 (0.72) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352568 0.88 ADORA3 (0.72) ADORA3SLC6A3SLC6A2ADORA1ADORA2A
SCHEMBL18352586 0.86 ADORA3 (0.73) ADORA3SLC6A3SLC6A2ADORA1ADORA2A

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 1/4885SLC6A3 493/4885SLC6A2 721/4885

“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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