SCHEMBL6133515

SCHEMBL6133515

CC(C)COc1ccccc1-c1nc(N)ncc1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
LRRK2 Q5S007 1/20 0.36
PDE5A O76074 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TLR8 Q9NR97 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ADORA2B P29275 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6133875 0.91 LRRK2 (0.42) ADORA2AADORA1LRRK2PDE5ALMNA
SCHEMBL6134700 0.90 IDO1 (0.40) ADORA2AADORA1LRRK2TLR8LMNA
SCHEMBL6134784 0.89 PDE1A (0.38) ADORA2AADORA1LRRK2PDE5APDE4A
SCHEMBL6133855 0.89 ADORA2A (0.48) ADORA2AADORA1LRRK2LMNAMAPT
SCHEMBL6133847 0.88 LRRK2 (0.39) ADORA2AADORA1LRRK2PDE5APDE4A
SCHEMBL6133823 0.88 ADORA1 (0.35) ADORA2AADORA1LRRK2LMNAMAPT
SCHEMBL6135805 0.88 ADORA1 (0.37) CHRNA7ADORA2AADORA1LRRK2PDE5A
SCHEMBL6134186 0.87 ADORA1 (0.34) ADORA2AADORA1LRRK2LMNAMAPT
SCHEMBL6135333 0.87 HTR7 (0.39) ADORA2AADORA1LRRK2SMN1; SMN2
SCHEMBL6134869 0.87 PDE5A (0.37) ADORA2AADORA1LRRK2PDE5APDE4A

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 CHRNA7 289/4885ADORA2A 2/4885ADORA1 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.