SCHEMBL6133436

SCHEMBL6133436

Cn1nc(-c2cnc(N)nc2-c2cccc(O)c2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.56
ADORA2A P29274 9/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
ADORA2B P29275 2/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK10 P53779 1/20 0.39
PIK3CG P48736 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FYN P06241 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
SCHEMBL6133534 0.88 ADORA1 (0.57) ADORA1ADORA2AADORA2B
SCHEMBL6133620 0.87 ADORA1 (0.52) ADORA1ADORA2AGFERKMT2AADORA2B
SCHEMBL6134194 0.87 ADORA1 (0.43) ADORA1ADORA2AADORA2B
SCHEMBL6134466 0.86 ADORA1 (0.53) ADORA1ADORA2AGFERKMT2AHRH3
SCHEMBL6133471 0.86 ADORA1 (0.50) ADORA1ADORA2AKMT2AADORA2B
SCHEMBL6133447 0.85 ADORA2A (0.60) ADORA1ADORA2AKMT2AHRH3ADORA2B
SCHEMBL6134037 0.81 RPS6KA3 (0.45) ADORA1ADORA2AKMT2AHRH3ADORA2B
SCHEMBL6134043 0.81 ADORA1 (0.53) ADORA1ADORA2AKMT2AHRH3ADORA2B
SCHEMBL6134686 0.81 GFER (0.43) ADORA1ADORA2AGFERKMT2AADORA2B
SCHEMBL6134537 0.80 RPS6KA3 (0.48) ADORA1ADORA2AKMT2AHRH3ADORA2B

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885GFER 812/4885

“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.