SCHEMBL3738593

SCHEMBL3738593

CNC(=O)[C@@]12C[C@@H]1[C@H](n1cnc3c(NCc4cc(I)ccc4Cl)nc(Cl)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00
▸ ADORA1 P30542 17/20 1.00
▸ ADORA2A P29274 14/20 1.00
▸ HTR2B P41595 1/20 0.71

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
SCHEMBL3733151 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL3727165 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL3728546 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL12264931 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL29524240 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL19465000 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL29775232 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL13388266 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL19807555 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL3730113 0.85 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B

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-7825126-B2 Purine derivatives as A3 and A1 adenosine receptor agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 — — US disclosed
US-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND H (MD) 2007-10-04 — — 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-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists ADORA1, ADORA3, ADORA2A ADORA3 2/4885ADORA1 1/4885ADORA2A 3/4885

“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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