SCHEMBL7219764

SCHEMBL7219764

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(CNS(=O)(=O)CC(C)C)nc43)[C@H](OC(C)=O)[C@@H]2OC(C)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.45
ADORA3 P0DMS8 14/20 0.43
ADORA1 P30542 13/20 0.43
ADORA2B P29275 13/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL7219770 1.00 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BACHE
SCHEMBL7219772 1.00 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BACHE
SCHEMBL7218808 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7074531 0.89 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7069300 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BACHE
SCHEMBL7069292 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BACHE
SCHEMBL7069296 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BACHE
SCHEMBL7068573 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BACHE
SCHEMBL7068581 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BACHE
SCHEMBL7213305 0.86 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BACHE

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 2 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 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.