SCHEMBL2806725

SCHEMBL2806725

OCc1cnn([C@@H]2C=C[C@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.49
ADORA1 P30542 9/20 0.49
ADORA2A P29274 7/20 0.49
NT5E P21589 1/20 0.40
TMIGD3 P0DMS9 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL590069 0.88 ADORA3 (0.51) ADORA3ADORA1ADORA2A
SCHEMBL4667586 0.87 ADORA2A (0.61) ADORA3ADORA1ADORA2A
SCHEMBL591274 0.87 ADORA2A (0.61) ADORA3ADORA1ADORA2A
SCHEMBL589461 0.87 ADORA2A (0.61) ADORA3ADORA1ADORA2A
SCHEMBL591275 0.87 ADORA2A (0.61) ADORA3ADORA1ADORA2A
SCHEMBL589252 0.86 ADORA2A (0.47) ADORA3ADORA1ADORA2A
SCHEMBL589387 0.83 ADORA3 (0.58) ADORA3ADORA1ADORA2A
SCHEMBL2808436 0.81 LMNA (0.43) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL3808904 0.81 LMNA (0.43) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL2809727 0.81 ADORA2A (0.54) ADORA3ADORA1ADORA2ATMIGD3HTR2C

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 ADORA3 3/4885ADORA1 2/4885ADORA2A 1/4885

“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.