SCHEMBL6133482

SCHEMBL6133482

CC(C)n1nc(-c2cnc(N)nc2-c2cccc(OCCN3CCOCC3)c2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
ADORA1 P30542 5/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2B P29275 1/20 0.51
CACNA2D1 P54289 1/20 0.43
ACHE P22303 2/20 0.43
MAPK9 P45984 2/20 0.42
MAPKAPK2 P49137 2/20 0.42
MET P08581 2/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
BCHE P06276 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDR P35968 1/20 0.40
CARM1 Q86X55 1/20 0.39
AURKA O14965 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL6133313 0.90 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2BACHE
SCHEMBL6133797 0.86 ADORA1 (0.43) ADORA2AADORA1KDR
SCHEMBL6133860 0.85 ADORA1 (0.42) ADORA2AADORA1ADORA2BKDR
SCHEMBL6133991 0.85 SRC (0.43) ADORA2AADORA1
SCHEMBL6135205 0.85 ADORA1 (0.44) ADORA2AADORA1METKDR
SCHEMBL6134416 0.85 ADORA1 (0.42) ADORA2AADORA1ADORA2BKDR
SCHEMBL6133354 0.85 ADCY10 (0.45) ADORA2AADORA1ADORA3ADORA2BMAPKAPK2
SCHEMBL6133501 0.84 ADORA1 (0.41) ADORA2AADORA1ADORA3ADORA2BKDR
SCHEMBL6135106 0.84 LMNA (0.45) ADORA2AADORA1FGFR1KDR
SCHEMBL6133616 0.83 DHFR (0.43) 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 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 ADORA2A 2/4885ADORA1 3/4885ADORA3 4/4885

“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.