SCHEMBL2805328

SCHEMBL2805328

OCc1cnn([C@H]2C[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.65
ADORA3 P0DMS8 6/20 0.65
ADORA1 P30542 7/20 0.59
TMIGD3 P0DMS9 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL589213 0.94 ADORA2A (0.74) ADORA2AADORA3ADORA1TMIGD3HTR2C
SCHEMBL12060838 0.87 ADORA1 (0.56) ADORA2AADORA3ADORA1TMIGD3HTR2C
SCHEMBL2811914 0.85 ADORA1 (0.58) ADORA2AADORA3ADORA1TMIGD3HTR2C
SCHEMBL591555 0.85 ADORA2A (0.84) ADORA2AADORA3ADORA1
SCHEMBL1412223 0.84 ADORA1 (0.65) ADORA2AADORA3ADORA1TMIGD3HTR2C
SCHEMBL4667586 0.84 ADORA2A (0.61) ADORA2AADORA3ADORA1
SCHEMBL591274 0.84 ADORA2A (0.61) ADORA2AADORA3ADORA1
SCHEMBL589461 0.84 ADORA2A (0.61) ADORA2AADORA3ADORA1
SCHEMBL591275 0.84 ADORA2A (0.61) ADORA2AADORA3ADORA1
Hydrochloric Acid SCHEMBL4226536 0.84 ADORA1 (0.64) ADORA2AADORA3ADORA1TMIGD3HTR2C

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-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP 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-20100240680-A1 Purine derivatives as a2a agonists 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.