SCHEMBL2812121

SCHEMBL2812121

OCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.53
ADORA2A P29274 10/20 0.53
ADORA1 P30542 4/20 0.53
ADORA2B P29275 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
SCHEMBL4668103 0.94 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1415177 0.94 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1415176 0.94 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5225967 0.94 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL589466 0.94 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL12050222 0.94 ADORA3 (0.46) ADORA3ADORA2AADORA1
SCHEMBL2807840 0.94 ADORA3 (0.46) ADORA3ADORA2AADORA1
SCHEMBL590340 0.91 ADORA2A (0.55) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4668885 0.88 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL590422 0.88 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2B

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 7 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-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
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 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 ADORA3 3/4885ADORA2A 1/4885ADORA1 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.