SCHEMBL4381150

SCHEMBL4381150

CONc1nc(C#Cc2ccc(F)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00
▸ ADORA2A P29274 19/20 1.00
▸ ADORA1 P30542 19/20 1.00
▸ ADORA2B P29275 1/20 0.69

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
SCHEMBL4386994 0.92 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31061229 0.92 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4381643 0.92 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31061129 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4387417 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31060672 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4384730 0.91 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4543926 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4383271 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31061177 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537135-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2009-11-25 — — EP claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
EP-1537135-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2009-11-25 — — EP disclosed
US-6914053-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2005-07-05 — — US disclosed
US-20040121978-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-24 — — 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-20040121978-A1 Adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 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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