SCHEMBL5022617

SCHEMBL5022617

Cc1ccc(-c2nc(NC(=O)C(C)c3cccnc3)cc(-c3nccs3)n2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.59
ADORA1 P30542 11/20 0.59
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
ALOX12 P18054 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MCL1 Q07820 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
SCHEMBL5024977 0.88 ADORA2A (0.43) ADORA2AADORA1HPGDPOLBMCL1
SCHEMBL5022635 0.87 ADORA2A (0.57) ADORA2AADORA1HPGDMCL1
SCHEMBL5022258 0.85 POLB (0.43) ADORA2AADORA1HPGDALDH1A1MAPT
SCHEMBL5026267 0.84 ADORA2A (0.49) ADORA2AADORA1HPGDPOLBMCL1
SCHEMBL5022954 0.82 ADORA2A (0.71) ADORA2AADORA1HPGDALDH1A1PKM
SCHEMBL1490271 0.82 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL8287558 0.82 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL5017763 0.80 ADORA2A (0.46) ADORA2AADORA1LMNAPOLBMEN1
SCHEMBL5026350 0.77 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL1489232 0.77 ADORA2A (0.65) ADORA2AADORA1HPGDALDH1A1MAPT

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
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
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 3/4885HPGD 1855/4885

“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.