SCHEMBL6663776

SCHEMBL6663776

COC[C@H]1O[C@@H](n2cnc3c(Cl)nc(C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.69
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
NT5E P21589 2/20 0.56
TYMP P19971 1/20 0.52
ADK P55263 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52
RNASEL Q05823 1/20 0.51
ADORA2A P29274 4/20 0.50
ADORA2B P29275 2/20 0.50
ADORA1 P30542 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
SCHEMBL18526554 0.90 ADORA3 (0.80) ADORA3LMNATP53NT5ECA1
SCHEMBL16160996 0.88 ADORA3 (0.74) ADORA3LMNATP53NT5ECA1
SCHEMBL16619900 0.88 ADORA3 (0.64) ADORA3NT5ECA1CA2CA4
SCHEMBL741776 0.87 LMNA (0.78) ADORA3LMNATP53NT5EADORA2A
SCHEMBL741775 0.87 LMNA (0.78) ADORA3LMNATP53NT5EADORA2A
SCHEMBL7531797 0.87 ADORA3 (0.66) ADORA3LMNATP53NT5ETYMP
SCHEMBL29936666 0.87 ADORA3 (0.78) ADORA3LMNANT5ECA1CA2
SCHEMBL8622533 0.87 ADORA3 (0.78) ADORA3LMNANT5ECA1CA2
SCHEMBL15071488 0.86 RNASEL (0.68) NT5ERNASELADORA1
SCHEMBL15248814 0.86 RNASEL (0.68) NT5ERNASELADORA1

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 10 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
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed
EP-0901499-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2002-04-10 EP disclosed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
US-5998388-A N6-PHENYL-SUBSTITUTED GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed
EP-0901499-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043300-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-11-20 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 ADORA3 2/4885LMNA 1359/4885TP53 2722/4885

“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.