SCHEMBL6133823

SCHEMBL6133823

CC(C)n1nc(-c2cnc(N)nc2-c2ccccc2OCCF)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.35
ADORA2A P29274 2/20 0.35
LRRK2 Q5S007 1/20 0.35
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 2/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ADORA2B P29275 1/20 0.32
MAOB P27338 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6134186 0.95 ADORA1 (0.34) ADORA1ADORA2ALRRK2ALOX5APFEN1
SCHEMBL6134784 0.91 PDE1A (0.38) ADORA1ADORA2ALRRK2LMNAPDE1A
SCHEMBL6133847 0.90 LRRK2 (0.39) ADORA1ADORA2ALRRK2HRH3LMNA
SCHEMBL6134700 0.90 IDO1 (0.40) ADORA1ADORA2ALRRK2ALOX5APFEN1
SCHEMBL6133875 0.89 LRRK2 (0.42) ADORA1ADORA2ALRRK2LMNAPDE1A
SCHEMBL6134869 0.89 PDE5A (0.37) ADORA1ADORA2ALRRK2LMNAMAPT
SCHEMBL6135333 0.89 HTR7 (0.39) ADORA1ADORA2ALRRK2ALDH1A1SMN1; SMN2
SCHEMBL6133515 0.88 CHRNA7 (0.38) ADORA1ADORA2ALRRK2ALOX5APFEN1
SCHEMBL6133855 0.87 ADORA2A (0.48) ADORA1ADORA2ALRRK2LMNAPDE1A
SCHEMBL6135805 0.86 ADORA1 (0.37) ADORA1ADORA2ALRRK2ALOX5APFEN1

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 ADORA1 3/4885ADORA2A 2/4885LRRK2 225/4885

“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.