SCHEMBL6134700

SCHEMBL6134700

CC(C)CCOc1ccccc1-c1nc(N)ncc1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TLR8 Q9NR97 1/20 0.36
MCHR1 Q99705 1/20 0.36
HTT P42858 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.32
FABP3 P05413 2/20 0.32
ADORA2B P29275 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31

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
SCHEMBL6134784 0.91 PDE1A (0.38) ADORA2AADORA1MAPTSMN1; SMN2LMNA
SCHEMBL6133847 0.90 LRRK2 (0.39) ADORA2AADORA1MAPTLMNALRRK2
SCHEMBL6133823 0.90 ADORA1 (0.35) ADORA2AADORA1MAPTSMN1; SMN2LMNA
SCHEMBL6133515 0.90 CHRNA7 (0.38) TLR8ADORA2AADORA1MAPTSMN1; SMN2
SCHEMBL6134186 0.90 ADORA1 (0.34) ADORA2AADORA1MAPTLMNALRRK2
SCHEMBL6133875 0.89 LRRK2 (0.42) ADORA2AADORA1MAPTLMNALRRK2
SCHEMBL6135333 0.89 HTR7 (0.39) ADORA2AADORA1SMN1; SMN2LRRK2
SCHEMBL6134869 0.89 PDE5A (0.37) TLR8MCHR1ADORA2AADORA1MAPT
SCHEMBL6133855 0.87 ADORA2A (0.48) ADORA2AADORA1MAPTSMN1; SMN2LMNA
SCHEMBL6135805 0.86 ADORA1 (0.37) ADORA2AADORA1MAPTSMN1; SMN2LMNA

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 IDO1 1325/4885TLR8 4293/4885MCHR1 3317/4885

“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.