SCHEMBL2395565

SCHEMBL2395565

CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 1.00
ADORA1 P30542 19/20 1.00
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL8029768 0.82 ADORA2A (0.69) ADORA2AADORA1ALDH1A1MAPT
SCHEMBL8029365 0.78 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL8037347 0.74 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL8069784 0.74 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL4102329 0.73 ALDH1A1 (0.59) ADORA2AADORA1ALDH1A1MAPT
SCHEMBL1378743 0.72 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL4106909 0.71 ALDH1A1 (0.57) ADORA2AADORA1ALDH1A1MAPT
SCHEMBL12034929 0.71 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL8072372 0.71 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL8032770 0.70 ADORA2A (0.82) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017614-B2 Arylindenopyrimidines compound and use as an adenosine A2a receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-13 US disclosed
US-8017614-B2 Arylindenopyrimidines compound and use as an adenosine A2a receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-13 US disclosed
US-8017614-B2 Arylindenopyrimidines compound and use as an adenosine A2a receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-13 US disclosed
EP-2217575-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-18 EP disclosed
WO-2009055308-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
WO-2009055308-A1 ARYLINDENOPYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
US-20090111827-A1 ARYLINDENOPYRIMIDINES COMPOUND AND USE AS AN ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111827-A1 ARYLINDENOPYRIMIDINES COMPOUND AND USE AS AN ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111827-A1 ARYLINDENOPYRIMIDINES COMPOUND AND USE AS AN ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US 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-20090111827-A1 ARYLINDENOPYRIMIDINES COMPOUND AND USE AS AN ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885ALDH1A1 373/4885

“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.