SCHEMBL5017779

SCHEMBL5017779

COc1cc(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)ccc1OC(F)F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.60
ADORA1 P30542 10/20 0.60
ADORA3 P0DMS8 4/20 0.56
ADORA2B P29275 3/20 0.56
CYP3A4 P08684 1/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL5016301 0.93 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2BCYP3A4
SCHEMBL5022820 0.87 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BCYP3A4
SCHEMBL5022206 0.86 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2BCYP3A4
SCHEMBL5016175 0.86 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BCYP3A4
SCHEMBL5017747 0.85 ADORA2A (0.65) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL5022291 0.85 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2BCYP3A4
SCHEMBL5016278 0.83 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL5024936 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2BCYP3A4
SCHEMBL5022948 0.83 ADORA2A (0.70) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL5017620 0.82 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2BLMNA

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
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US claimed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP disclosed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 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.