SCHEMBL5016142

SCHEMBL5016142

NCCNc1cc(-n2cccn2)nc(-c2cccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.39
ADORA1 P30542 12/20 0.39
ADORA3 P0DMS8 4/20 0.37
ADORA2B P29275 1/20 0.36
GBA1 P04062 3/20 0.36
BRD4 O60885 1/20 0.35
SYK P43405 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE5A O76074 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5017845 0.87 GBA1 (0.42) ADORA2AADORA1ADORA3ADORA2BGBA1
SCHEMBL5016202 0.85 NR1H4 (0.43) ADORA2AADORA1GBA1BRD4KDM4E
SCHEMBL6038241 0.84 BRD4 (0.48) ADORA2AADORA1ADORA3ADORA2BGBA1
SCHEMBL5016164 0.83 KDM4E (0.45) ADORA2AADORA1GBA1KDM4EALDH1A1
SCHEMBL5026217 0.83 GSK3B (0.40) ADORA2AADORA1GBA1KDM4EALDH1A1
SCHEMBL5026330 0.83 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BGBA1
SCHEMBL5016108 0.82 ADORA2A (0.48) ADORA2AGBA1KDM4EALDH1A1MAPT
SCHEMBL3633401 0.82 KDM4E (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8287616 0.80 ADORA2A (0.35) ADORA2AADORA1ADORA3ADORA2BGBA1
SCHEMBL5016102 0.80 SMN1; SMN2 (0.49) KDM4EALDH1A1MAPTKMT2ALMNA

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 6 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
CN-1953975-A 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists ALMIRALL PRODESFARMA AG (CH) 2007-04-25 CN 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

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.