SCHEMBL26628623

SCHEMBL26628623

COc1cncc(-c2nc(NCc3ccccn3)c3ncn([C@@H]4O[C@H](C(=O)NC(C)C)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.48
ADORA3 P0DMS8 12/20 0.46
ADORA1 P30542 9/20 0.46
ADORA2B P29275 6/20 0.46
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
NT5E P21589 1/20 0.45

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
SCHEMBL30850478 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BKCNA5
SCHEMBL29762087 0.93 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL26628409 0.93 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL26628462 0.93 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL29073776 0.93 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL24600929 0.93 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL29073777 0.93 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL30850619 0.93 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL30850626 0.92 ADORA3 (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL26628587 0.92 ADORA3 (0.46) ADORA2AADORA3ADORA1ADORA2B

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 US disclosed
EP-4273153-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF Zhejiang Vimgreen Pharmaceuticals, Ltd (CN) 2023-11-08 EP 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA3 1/4885ADORA1 4/4885

“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.