SCHEMBL2805070

SCHEMBL2805070

OCc1cc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.54
ADORA1 P30542 7/20 0.53
ADORA3 P0DMS8 7/20 0.53
ADORA2B P29275 4/20 0.53
NT5E P21589 1/20 0.50

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
SCHEMBL2812237 0.95 ADORA3 (0.48) ADORA2AADORA1ADORA3ADORA2BNT5E
SCHEMBL2806951 0.93 ADORA3 (0.53) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3885565 0.88 ADORA3 (0.49) ADORA2AADORA1ADORA3ADORA2BNT5E
SCHEMBL4224807 0.86 ADORA3 (0.55) ADORA2AADORA1ADORA3ADORA2BNT5E
SCHEMBL4618979 0.84 ADORA1 (0.72) ADORA2AADORA1ADORA3ADORA2BNT5E
SCHEMBL6573910 0.83 ADORA1 (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1415122 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1415112 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1415120 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8325836 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B

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
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP 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 1/4885ADORA1 2/4885ADORA3 3/4885

“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.