SCHEMBL6669865

SCHEMBL6669865

OC1C(O)[C@@H](COC(F)(F)F)O[C@H]1n1cnc2c(Nc3ccc(Cl)cc3F)ncnc21

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.79
ADORA1 P30542 9/20 0.79
ADORA2A P29274 7/20 0.79
ADORA2B P29275 2/20 0.79
TYMP P19971 1/20 0.53
DNPH1 O43598 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6669862 1.00 ADORA3 (0.79) ADORA3ADORA1ADORA2AADORA2BTYMP
SCHEMBL7732648 0.89 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BTYMP
SCHEMBL7732645 0.89 ADORA3 (0.62) ADORA3ADORA1ADORA2AADORA2BTYMP
SCHEMBL6661428 0.88 ADORA3 (0.86) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6664819 0.88 ADORA3 (0.86) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6671297 0.86 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BDNPH1
SCHEMBL7064170 0.86 ADORA1 (0.71) ADORA3ADORA1ADORA2AADORA2BDNPH1
SCHEMBL7064173 0.86 ADORA1 (0.71) ADORA3ADORA1ADORA2AADORA2BDNPH1
SCHEMBL7064432 0.82 ADORA3 (0.63) ADORA3ADORA1DNPH1ALDH1A1LMNA
SCHEMBL7064426 0.82 ADORA3 (0.63) ADORA3ADORA1DNPH1ALDH1A1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008842-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-09 US claimed
EP-1239883-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2002-09-18 EP claimed
EP-1239880-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2002-09-18 EP claimed
WO-2001045684-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
WO-2001045686-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
EP-1239882-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1239879-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND COX2-INHIBITORS GLAXO GROUP LTD (GB) 2004-02-25 EP disclosed
EP-1239878-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT1 AGONISTS GLAXO GROUP LTD (GB) 2004-02-25 EP disclosed
US-20030018008-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-23 US disclosed
US-20030008842-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-09 US disclosed
US-20030004126-A1 Formulations of adenosine A1 agonists BOUNTRA CHARANJIT (GB) 2003-01-02 US disclosed
US-20030004129-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-02 US disclosed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
WO-2001045714-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045682-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045685-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045684-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045683-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045686-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045715-A2 COMBINATIONS OF AN ADENOSINE A1 AGONIST WITH AN OPIOID AND THEIR USE IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2001-06-28 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 (4 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-20030018008-A1 Formulations of adenosine a1 agonists ADORA1, ADORA3, ADORA2A ADORA3 2/4885ADORA1 1/4885ADORA2A 3/4885
US-20030004126-A1 Formulations of adenosine A1 agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885
US-20030004129-A1 Formulations of adenosine a1 agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885
US-20030008842-A1 Formulations of adenosine a1 agonists ADORA1, ADORA2B, ADORA2A ADORA3 4/4885ADORA1 1/4885ADORA2A 3/4885

“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.