SCHEMBL640370

SCHEMBL640370

OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(O)c4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.82
ADORA2A P29274 5/20 0.82
ADORA1 P30542 4/20 0.82
ADORA2B P29275 1/20 0.82
SLC29A1 Q99808 2/20 0.81
TP53 P04637 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
PRKAG1 P54619 1/20 0.78
PRKAA1 Q13131 1/20 0.78
PRKAB1 Q9Y478 1/20 0.78
PAX8 Q06710 1/20 0.71
NFKB1 P19838 1/20 0.69
THPO P40225 1/20 0.69
TSHR P16473 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
SCHEMBL19225551 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL15189010 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL29564120 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL29611249 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL19220692 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL17824486 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL17825920 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL640371 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL15189014 1.00 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL25173769 0.99 ADORA3 (0.80) ADORA3ADORA2AADORA1ADORA2BSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116868889-A Breeding method of new dendrobium nobile variety 闽江学院 2023-10-13 CN claimed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 US claimed
EP-1575973-A2 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2005-09-21 EP claimed
WO-2004058791-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-07-15 WO claimed
CN-117223608-B Hu Doulian tissue culture rapid propagation method 浙江乌岩岭国家级自然保护区管理中心 2024-04-30 CN disclosed
CN-117223608-A Hu Doulian tissue culture rapid propagation method 浙江乌岩岭国家级自然保护区管理中心 2023-12-15 CN disclosed
CN-116868889-A Breeding method of new dendrobium nobile variety 闽江学院 2023-10-13 CN disclosed
CN-115250917-B Tissue culture rapid propagation method for yin-fragrant 北京林业大学 2023-04-25 CN disclosed
CN-115250917-A Method for tissue culture and rapid propagation of cinnamomum burmannii 北京林业大学 2022-11-01 CN disclosed
EP-1575973-B1 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2017-08-23 EP disclosed
US-8119614-B2 Substitution derivatives of N6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-02-21 US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 US disclosed
EP-1575973-A2 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2005-09-21 EP disclosed
WO-2004058791-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-07-15 WO 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-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ADAR, ADORA2A, AMPD2 ADORA3 14/4885ADORA2A 2/4885ADORA1 7/4885

“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.