SCHEMBL1978553

SCHEMBL1978553

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC(=O)/C=C\C(=O)O[C@@H]3[C@H](O)[C@@H](c4nnn(CC)n4)O[C@H]3n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@@H]2O)n1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.79
ADORA3 P0DMS8 18/20 0.79
ADORA1 P30542 11/20 0.79
ADORA2B P29275 10/20 0.79

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
SCHEMBL1982788 1.00 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7459867 0.98 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7088617 0.95 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1978551 0.90 ADORA2A (0.91) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1982789 0.90 ADORA2A (0.91) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1978555 0.90 ADORA2A (0.91) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1982786 0.90 ADORA2A (0.91) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7609377 0.89 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL12273278 0.89 ADORA2A (0.90) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7651022 0.89 ADORA2A (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509606-A1 NOVEL MEDICAL USE Glaxo Group Limited (GB) 2012-10-17 EP disclosed
US-20120238520-A1 Novel Medical Use GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
WO-2011069918-A1 NOVEL MEDICAL USE GLAXO GROUP LIMITED (GB) 2011-06-16 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-20120238520-A1 Novel Medical Use FPR3, PTGES3, FPR2 ADORA2A 87/4885ADORA3 63/4885ADORA1 142/4885

“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.