SCHEMBL5017682

SCHEMBL5017682

Nc1cc(-n2cccn2)nc(-c2ccc(Cl)o2)n1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.65
ADORA1 P30542 12/20 0.65
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOTUM Q6P988 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NLRP3 Q96P20 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL5017728 0.87 ADORA2A (0.48) ADORA2AADORA1KDM4EALDH1A1NOTUM
SCHEMBL5016143 0.85 ADORA2A (0.65) ADORA2AADORA1KDM4EALDH1A1ADORA3
SCHEMBL5017851 0.85 ADORA2A (0.65) ADORA2AADORA1KDM4EALDH1A1ADORA3
SCHEMBL1489577 0.79 ADORA2A (1.00) ADORA2AADORA1KDM4EALDH1A1ADORA3
SCHEMBL14009584 0.77 ADORA2A (0.54) ADORA2AADORA1KDM4EALDH1A1NOTUM
SCHEMBL1490006 0.75 ADORA2A (0.67) ADORA2AADORA1KDM4EALDH1A1ADORA3
SCHEMBL5024951 0.75 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5026349 0.74 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1NOTUM
SCHEMBL27661572 0.74 ADORA2A (0.61) ADORA2AADORA1KDM4EALDH1A1ADORA3
SCHEMBL1490062 0.73 ADORA2A (0.63) ADORA2AADORA1KDM4EALDH1A1ADORA3

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 11 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
JP-2007514003-A 2007-05-31 JP claimed
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN claimed
EP-1697351-A1 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma AG (CH) 2006-09-06 EP claimed
WO-2005058883-A1 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-06-30 WO claimed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN 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 3/4885KDM4E 3504/4885

“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.