SCHEMBL6133847

SCHEMBL6133847

CCCCOc1ccccc1-c1nc(N)ncc1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
PDE5A O76074 6/20 0.38
HRH3 Q9Y5N1 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL6134869 0.96 PDE5A (0.37) LRRK2PDE5AADORA2AADORA1LMNA
SCHEMBL6134784 0.95 PDE1A (0.38) LRRK2PDE5ACYP1A2ALDH1A1ADORA2A
SCHEMBL6134186 0.91 ADORA1 (0.34) LRRK2HRH3ADORA2AADORA1LMNA
SCHEMBL6133875 0.91 LRRK2 (0.42) LRRK2PDE5AALDH1A1ADORA2AADORA1
SCHEMBL6134700 0.90 IDO1 (0.40) LRRK2HRH3ADORA2AADORA1LMNA
SCHEMBL6133823 0.90 ADORA1 (0.35) LRRK2HRH3ALDH1A1ADORA2AADORA1
SCHEMBL6135333 0.89 HTR7 (0.39) LRRK2ALDH1A1ADORA2AADORA1
SCHEMBL6133515 0.88 CHRNA7 (0.38) LRRK2PDE5AHRH3ADORA2AADORA1
SCHEMBL6133855 0.87 ADORA2A (0.48) LRRK2ALDH1A1ADORA2AADORA1LMNA
SCHEMBL6135805 0.86 ADORA1 (0.37) LRRK2PDE5AHRH3ADORA2AADORA1

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 LRRK2 225/4885PDE5A 683/4885HRH3 367/4885

“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.