SCHEMBL29762201

SCHEMBL29762201

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-c4cccnc4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.62
ADORA1 P30542 9/20 0.62
ADORA2A P29274 4/20 0.58
ADORA2B P29275 3/20 0.56
HSP90B1 P14625 1/20 0.56

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
SCHEMBL24601367 1.00 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29073847 1.00 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29073850 1.00 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29762311 0.92 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073477 0.92 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073483 0.92 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL26628399 0.92 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL29073789 0.87 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL29762121 0.87 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1
SCHEMBL24600612 0.87 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BHSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783196-A A3 adenosine receptor agonists, methods of making and uses thereof 浙江春禾医药科技有限公司 2023-09-19 CN claimed
WO-2022143740-A1 ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江春禾医药科技有限公司 2022-07-07 WO claimed
US-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B ADORA3 1/4885ADORA1 4/4885ADORA2A 2/4885

“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.