SCHEMBL5017709

SCHEMBL5017709

Nc1cc(-c2ccco2)nc(-n2cncn2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
ADORA2B P29275 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
GLA P06280 2/20 0.38
SMARCA2 P51531 2/20 0.38
PBRM1 Q86U86 2/20 0.38
PTGS1 P23219 1/20 0.37
SMARCA4 P51532 1/20 0.37

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
SCHEMBL5016298 0.80 ADORA2A (0.61) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL6038204 0.78 KDM4E (0.38) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL5017680 0.76 ADORA2A (0.67) ADORA2AADORA1ALDH1A1HSD17B10MAPK1
SCHEMBL5016178 0.74 ADORA2A (0.64) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL5017694 0.72 ADORA2A (0.56) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL29044796 0.72 MAPT (0.53) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL30488014 0.72 MAPT (0.53) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL5017802 0.70 ALDH1A1 (0.58) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL5022515 0.69 MAPT (0.50) ADORA2AADORA1ALDH1A1HSD17B10KDM4E
SCHEMBL5017647 0.68 SMN1; SMN2 (0.54) ADORA2AADORA1ALDH1A1HSD17B10KDM4E

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 12 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
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 3/4885ALDH1A1 408/4885

“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.