SCHEMBL7214825

SCHEMBL7214825

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(C(=O)NCCc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.68
ADORA3 P0DMS8 9/20 0.58
ADORA2B P29275 9/20 0.58
ADORA1 P30542 8/20 0.58

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
SCHEMBL7214828 1.00 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7213287 0.90 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7213282 0.90 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6327867 0.84 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6327873 0.84 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6913464 0.84 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6913460 0.84 ADORA2A (0.78) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1415376 0.84 ADORA3 (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL3906064 0.84 ADORA3 (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1415378 0.84 ADORA3 (0.75) 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 3 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

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.