SCHEMBL5024948

SCHEMBL5024948

CCCN(C(N)=O)c1cc(-n2cccn2)nc(-c2ccco2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.57
ADORA1 P30542 9/20 0.57
ADORA3 P0DMS8 4/20 0.51
ADORA2B P29275 4/20 0.51
KMT2A Q03164 4/20 0.39
F2 P00734 2/20 0.39
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MYC P01106 1/20 0.33

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
SCHEMBL6038256 0.89 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL6038267 0.86 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL5604411 0.84 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL27661596 0.83 ADORA2A (0.58) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL5024971 0.79 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL5022322 0.79 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL5016100 0.78 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL27681229 0.77 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL5016138 0.77 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BKMT2A
SCHEMBL6038275 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BKMT2A

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 1 patent. 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

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.