SCHEMBL6133480

SCHEMBL6133480

CC(C)n1nc(-c2c(NCc3ccccn3)nc(N)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.43
ADORA1 P30542 11/20 0.43
ADORA2B P29275 7/20 0.43
ADORA3 P0DMS8 4/20 0.42
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
HIF1A Q16665 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
SCN9A Q15858 1/20 0.37
KCNA5 P22460 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6133960 0.93 ADORA2A (0.47) ADORA2AADORA1HIF1ATLR7
SCHEMBL6135229 0.88 APP (0.43) ADORA2AADORA1ADORA2BADORA3SMN1; SMN2
SCHEMBL6134701 0.81 ADORA2A (0.46) ADORA2AADORA1ADORA2BHIF1ATLR7
SCHEMBL6133268 0.81 CALCA (0.41) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6133703 0.81 GHSR (0.41) ADORA2AADORA1ADORA3
SCHEMBL6133364 0.80 ADORA2A (0.43) ADORA2AADORA1MAPK14MAPK13MAPK12
SCHEMBL6133911 0.79 NLRP3 (0.45) ADORA2AADORA1
SCHEMBL5147963 0.78 HIF1A (0.43) ADORA2AADORA1HIF1AKCNA5
SCHEMBL6133629 0.78 ADORA2A (0.37) ADORA2AADORA1ADORA2BHIF1A
SCHEMBL6134404 0.78 ADORA2A (0.45) ADORA2AADORA1HIF1A

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 2/4885ADORA1 3/4885ADORA2B 1/4885

“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.