SCHEMBL7214800

SCHEMBL7214800

CCn1cnc([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 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.53
ADORA3 P0DMS8 5/20 0.49
ADORA2B P29275 5/20 0.49
ADORA1 P30542 5/20 0.49

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
SCHEMBL7214807 1.00 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7074531 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7218808 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7213118 0.89 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7213117 0.89 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7213320 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7070058 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7070061 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7214818 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7214813 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1

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 4 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
US-20020072597-A1 Purine derivatives PFIZER INC. 2002-06-13 US 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 3/4885ADORA2B 4/4885

“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.