SCHEMBL1489633

SCHEMBL1489633

COc1cccc(N2CCN(CC(=O)Nc3cc(-c4nccs4)nc(-c4ccc(C)o4)n3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.75
ADORA1 P30542 13/20 0.75
USP2 O75604 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD4 P21917 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL1489377 0.91 ADORA2A (0.77) ADORA2AADORA1KCNH2
SCHEMBL1489332 0.91 ADORA2A (0.81) ADORA2AADORA1KCNH2
SCHEMBL1489693 0.89 ADORA2A (0.80) ADORA2AADORA1KCNH2
SCHEMBL1489768 0.87 ADORA2A (0.55) ADORA2AADORA1USP2LMNAMAPT
SCHEMBL1489691 0.87 ADORA2A (0.75) ADORA2AADORA1LMNAMAPTTSHR
SCHEMBL1489830 0.86 ADORA2A (0.58) ADORA2AADORA1USP2LMNAMAPT
SCHEMBL1489435 0.86 ADORA2A (0.64) ADORA2AADORA1USP2LMNAMAPT
SCHEMBL1489384 0.86 ADORA2A (0.84) ADORA2AADORA1KCNH2
SCHEMBL1489529 0.86 ADORA2A (1.00) ADORA2AADORA1KCNH2
SCHEMBL1490030 0.86 ADORA2A (0.90) ADORA2AADORA1KCNH2

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-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP claimed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US claimed
EP-1888565-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-20 EP claimed
WO-2006110884-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-10-19 WO claimed
EP-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1888565-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-20 EP disclosed
WO-2006110884-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-10-19 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-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885USP2 4358/4885

“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.