SCHEMBL638796

SCHEMBL638796

OC[C@H]1OC(n2cnc3c(NCc4ccc(F)cc4O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.80
PRKAG1 P54619 1/20 0.73
PRKAA1 Q13131 1/20 0.73
PRKAB1 Q9Y478 1/20 0.73
ADORA3 P0DMS8 2/20 0.70
ADORA2A P29274 1/20 0.70
ADORA1 P30542 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
STAT6 P42226 1/20 0.70
GMNN O75496 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
TP53 P04637 1/20 0.69
SLC29A1 Q99808 1/20 0.69
TDP1 Q9NUW8 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
SCHEMBL17825965 1.00 PAX8 (0.80) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL19583099 1.00 PAX8 (0.80) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL638795 1.00 PAX8 (0.80) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL19583004 0.94 PAX8 (0.78) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL17826005 0.94 PAX8 (0.78) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL639461 0.94 PAX8 (0.78) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL639460 0.94 PAX8 (0.78) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL17825930 0.93 PAX8 (0.80) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL17824404 0.93 PAX8 (0.80) PAX8PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL639296 0.93 PAX8 (0.71) PAX8PRKAG1PRKAA1PRKAB1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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 PAX8 1122/4885PRKAG1 144/4885PRKAA1 173/4885

“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.