SCHEMBL5017694

SCHEMBL5017694

Nc1cc(-c2ccco2)nc(-c2ccco2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
ADORA1 P30542 9/20 0.56
MAPT P10636 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
BLM P54132 2/20 0.51
ADORA2B P29275 6/20 0.51
ADORA3 P0DMS8 5/20 0.51
POLB P06746 2/20 0.50
APAF1 O14727 1/20 0.50
NPC1 O15118 1/20 0.50
NSD2 O96028 1/20 0.50
RAB9A P51151 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
PDPK1 O15530 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL30488014 0.85 MAPT (0.53) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL29044796 0.85 MAPT (0.53) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL5017647 0.84 SMN1; SMN2 (0.54) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL5022387 0.82 KDM4E (0.66) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL5022515 0.82 MAPT (0.50) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL1489947 0.82 ADORA2A (0.54) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL11838714 0.82 ADORA2A (0.54) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL5026299 0.82 ADORA2A (0.54) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL5017738 0.80 ALDH1A1 (0.59) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL5016320 0.80 ALDH1A1 (0.57) ADORA2AADORA1MAPTHSD17B10ALDH1A1

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 10 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
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
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 3/4885MAPT 1877/4885

“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.