SCHEMBL5017763

SCHEMBL5017763

CC(C(=O)Nc1cc(-c2ccccn2)nc(-c2nccs2)n1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.46
POLB P06746 2/20 0.44
ADORA1 P30542 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
MEN1 O00255 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MCL1 Q07820 1/20 0.37
ADORA2B P29275 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
FFAR2 O15552 1/20 0.36
NR3C1 P04150 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.91 ADORA2A (0.43) ADORA2APOLBADORA1MCL1ADORA2B
SCHEMBL5016304 0.87 ADORA2A (0.55) ADORA2APOLBADORA1SMN1; SMN2ADORA3
SCHEMBL5026267 0.83 ADORA2A (0.49) ADORA2APOLBADORA1ADORA3MCL1
SCHEMBL5016204 0.81 ADORA3 (0.48) ADORA2APOLBADORA1ADORA3MEN1
SCHEMBL5022635 0.81 ADORA2A (0.57) ADORA2AADORA1ADORA3MCL1ADORA2B
SCHEMBL5022258 0.81 POLB (0.43) ADORA2APOLBADORA1ADORA3MEN1
SCHEMBL5022617 0.80 ADORA2A (0.59) ADORA2APOLBADORA1SMN1; SMN2MEN1
SCHEMBL5022977 0.80 ADORA2A (0.57) ADORA2APOLBADORA1ADORA3ADORA2B
SCHEMBL5026311 0.80 ADORA2A (0.61) ADORA2AADORA1
SCHEMBL5026404 0.79 ADORA2A (0.57) ADORA2AADORA1

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 3 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 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 1/4885POLB 1317/4885ADORA1 3/4885

“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.