SCHEMBL6134869

SCHEMBL6134869

CCCCCCOc1ccccc1-c1nc(N)ncc1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
LRRK2 Q5S007 1/20 0.36
MCHR1 Q99705 2/20 0.35
TLR8 Q9NR97 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL6133847 0.96 LRRK2 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6134784 0.93 PDE1A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6134186 0.90 ADORA1 (0.34) LRRK2LMNAMAPTKMT2AADORA2A
SCHEMBL6133875 0.89 LRRK2 (0.42) PDE5ALRRK2MEN1LMNAMAPT
SCHEMBL6133823 0.89 ADORA1 (0.35) LRRK2LMNAMAPTADORA2AADORA1
SCHEMBL6134700 0.89 IDO1 (0.40) LRRK2MCHR1TLR8LMNAMAPT
SCHEMBL6135333 0.87 HTR7 (0.39) LRRK2ADORA2AADORA1
SCHEMBL6133515 0.87 CHRNA7 (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6133855 0.85 ADORA2A (0.48) LRRK2LMNAMAPTADORA2AADORA1
SCHEMBL6135805 0.84 ADORA1 (0.37) PDE5ALRRK2LMNAMAPTADORA2A

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 PDE5A 683/4885PDE4A 734/4885PDE4B 790/4885

“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.