SCHEMBL5022492

SCHEMBL5022492

NCCNc1cc(-n2cccn2)nc(-c2ccco2)n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.64
ADORA1 P30542 11/20 0.64
ADORA3 P0DMS8 5/20 0.55
ADORA2B P29275 3/20 0.55
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMARCA2 P51531 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL5016210 0.87 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL5016182 0.85 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL6038219 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2BBRD4
SCHEMBL5022394 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5017695 0.83 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL5024937 0.83 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5016166 0.82 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL3631834 0.82 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL5612886 0.80 ADORA2A (0.80) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL5016173 0.80 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BKDM4E

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
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
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
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.