SCHEMBL638673

SCHEMBL638673

COc1cccc(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.77
ADORA1 P30542 4/20 0.77
ADORA2A P29274 3/20 0.77
ADORA2B P29275 1/20 0.77
TP53 P04637 1/20 0.75
SLC29A1 Q99808 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
PRKAG1 P54619 1/20 0.71
PRKAA1 Q13131 1/20 0.71
PRKAB1 Q9Y478 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
SCHEMBL17824381 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL638672 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL17825933 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL25170475 0.99 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL640553 0.92 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL640552 0.92 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL27881272 0.92 ADORA2A (0.76) ADORA3ADORA1ADORA2A
SCHEMBL639730 0.91 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL19582992 0.91 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL639729 0.91 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3229771-B1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIV PALACKEHO (CZ) 2024-04-03 EP disclosed
US-20200383331-A1 COMPOSITIONS AND METHODS FOR LARGE-SCALE IN VITRO PLANT BIOCULTURE BOOSHOOT LLC (US) 2020-12-10 US disclosed
WO-2019006466-A1 COMPOSITIONS AND METHODS FOR LARGE-SCALE IN VITRO PLANT BIOCULTURE BOOSHOOT LLC (US) 2019-01-03 WO disclosed
WO-2019006470-A1 MEDIA FOR RAPID AND RELIABLE TISSUE CULTURING OF PLANTS BOOSHOOT LLC (US) 2019-01-03 WO disclosed
WO-2013016198-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR MICROPROPAGATION OF PLANTS BOOSHOOT LLC (US) 2013-01-31 WO 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 (2 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 14/4885ADORA1 7/4885ADORA2A 2/4885
US-20200383331-A1 COMPOSITIONS AND METHODS FOR LARGE-SCALE IN VITRO PLANT BIOCULTURE MYB, MYCBP, PIM1 ADORA3 4335/4885ADORA1 4506/4885ADORA2A 4442/4885

“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.