SCHEMBL21779328

SCHEMBL21779328

CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1C2C[C@@]2(C(=O)NC)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 1.00
▸ SLC6A3 Q01959 3/20 1.00
▸ SLC6A2 P23975 2/20 1.00
▸ ADRB3 P13945 1/20 1.00
▸ ADORA1 P30542 3/20 0.84
▸ ADORA2A P29274 1/20 0.84
▸ KCNH2 Q12809 2/20 0.83
▸ TMIGD3 P0DMS9 3/20 0.78
▸ OPRD1 P41143 1/20 0.78
▸ HTR2B P41595 1/20 0.78
▸ CYP1A2 P05177 1/20 0.77
▸ CYP3A4 P08684 1/20 0.77
▸ CYP2D6 P10635 1/20 0.77
▸ CYP2C19 P33261 1/20 0.77
▸ HTR2C P28335 1/20 0.75

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
SCHEMBL20122069 1.00 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL16774267 1.00 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL24615123 1.00 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL22750287 1.00 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL16774255 0.96 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL20122071 0.96 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL23097623 0.96 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL16774146 0.94 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL21779340 0.94 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1
SCHEMBL16774402 0.94 ADORA3 (1.00) ADORA3SLC6A3SLC6A2ADRB3ADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577368-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-03-03 — — 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-10577368-B2 A3 adenosine receptor agonists ADORA3, ADORA2B, ADORA1 ADORA3 1/4885SLC6A3 516/4885SLC6A2 723/4885

“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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