SCHEMBL6560740

SCHEMBL6560740

COC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.68
ADORA3 P0DMS8 7/20 0.65
ADK P55263 3/20 0.65
ADORA1 P30542 4/20 0.58
P2RY1 P47900 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SRC P12931 2/20 0.55
P2RY2 P41231 2/20 0.55
DNPH1 O43598 1/20 0.55
PRKAB2 O43741 1/20 0.55
TRPM2 O94759 1/20 0.55
LDHA P00338 1/20 0.55
ADRB2 P07550 1/20 0.55
FBP1 P09467 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PDE4D Q08499 1/20 0.55
KCNH2 Q12809 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PDE3A Q14432 1/20 0.55

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
SCHEMBL7197163 1.00 TYMP (0.68) TYMPADORA3ADKADORA1P2RY1
SCHEMBL7197169 1.00 TYMP (0.68) TYMPADORA3ADKADORA1P2RY1
SCHEMBL21480367 0.90 TYMP (0.56) TYMPADORA3ADKADORA1P2RY1
SCHEMBL8207328 0.88 TYMP (0.68) TYMPADORA3ADORA1P2RY1SMN1; SMN2
SCHEMBL41365 0.87 ADORA3 (0.66) ADORA3ADKADORA1P2RY1SMN1; SMN2
SCHEMBL780585 0.87 ADORA3 (0.66) ADORA3ADKADORA1P2RY1SMN1; SMN2
SCHEMBL20414121 0.87 TYMP (0.62) TYMPADORA3ADORA1SMN1; SMN2ADORA2A
SCHEMBL15926827 0.86 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2SRC
SCHEMBL384075 0.86 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2SRC
SCHEMBL15788449 0.86 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
EP-1397147-A1 USE OF ADENOSINE A1 AGONISTS IN THE TREATMENT OF EMESIS GLAXO GROUP LIMITED (GB) 2004-03-17 EP disclosed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US disclosed
WO-2002069982-A1 MEDICAMENTS GLAXO GROUP LIMITED (GB) 2002-09-12 WO disclosed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 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-20030158146-A1 Chemical compounds CNR1, ADORA3, ADORA1 TYMP 4423/4885ADORA3 2/4885ADK 469/4885

“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.