SCHEMBL7133017

SCHEMBL7133017

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(CNS(=O)(=O)CC(C)C)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.52
ADORA3 P0DMS8 6/20 0.49
ADORA1 P30542 6/20 0.49
ADORA2B P29275 5/20 0.49
NT5E P21589 1/20 0.44

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
SCHEMBL7133022 1.00 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7214818 0.90 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7214813 0.90 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7068573 0.90 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL7068581 0.90 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BNT5E
SCHEMBL6917844 0.86 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL724654 0.86 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6917842 0.86 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL724653 0.86 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7214807 0.86 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624158-B2 Compound for use in the treatment of; sepsis, urogential, psychological, nervous system, respiratory, inflammatory, skin vascular and arthritic; wound healing agents PFIZER INC 2003-09-23 US claimed
EP-1317465-A1 PURINE DERIVATIVES PFIZER INC. (US) 2003-06-11 EP claimed
US-20020072597-A1 Purine derivatives PFIZER INC. 2002-06-13 US claimed
WO-2002022630-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-03-21 WO claimed
US-6624158-B2 Compound for use in the treatment of; sepsis, urogential, psychological, nervous system, respiratory, inflammatory, skin vascular and arthritic; wound healing agents PFIZER INC 2003-09-23 US disclosed
US-20020072597-A1 Purine derivatives PFIZER INC. 2002-06-13 US 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-20020072597-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885

“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.