SCHEMBL1831240

SCHEMBL1831240

CC1CCC(C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA1 P30542 20/20 1.00

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
SCHEMBL12034929 0.83 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL12034919 0.82 ADORA2A (0.86) ADORA2AADORA1
SCHEMBL12034948 0.82 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL8029365 0.81 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL12034946 0.80 ADORA2A (0.74) ADORA2AADORA1
SCHEMBL12070698 0.80 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL12034952 0.79 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL8073095 0.79 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL8032770 0.78 ADORA2A (0.82) ADORA2AADORA1
SCHEMBL8037347 0.75 ADORA2A (0.71) ADORA2AADORA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220053-B1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-11 EP disclosed
EP-2220053-B1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2011-05-11 EP disclosed
EP-2220053-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-25 EP disclosed
US-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2009055548-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
WO-2009055548-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 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-20090111804-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2a ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA1 4/4885

“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.