SCHEMBL6135110

SCHEMBL6135110

CC(C)n1nc(-c2cnc(N)nc2-c2ccco2)ccc1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.59
ADORA2B P29275 11/20 0.59
ADORA1 P30542 10/20 0.59
ADORA3 P0DMS8 2/20 0.40
MAP4K4 O95819 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1D P48730 1/20 0.36
AURKB Q96GD4 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6134083 0.85 ADORA2A (0.65) ADORA2AADORA2BADORA1ADORA3CYP1A2
SCHEMBL6134324 0.82 ADORA1 (0.47) ADORA2AADORA2BADORA1
SCHEMBL6134198 0.81 FGFR1 (0.39) ADORA2AADORA2BADORA1
SCHEMBL6134903 0.80 ADORA1 (0.39) ADORA2AADORA2BADORA1
SCHEMBL6134252 0.80 ADORA2A (0.38) ADORA2AADORA2BADORA1
SCHEMBL6133826 0.79 CLK1 (0.36) ADORA2AADORA2BADORA1
SCHEMBL6134855 0.79 KDM5B (0.36) ADORA2AADORA2BADORA1
SCHEMBL6134468 0.79 ADORA2A (0.37) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21176829 0.79 ADORA2A (0.76) ADORA2AADORA2BADORA1ADORA3
SCHEMBL6134078 0.79 GFER (0.41) ADORA2AADORA1MAPK1

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 2 patents. 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
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885ADORA1 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.