SCHEMBL6133772

SCHEMBL6133772

CCOc1nc(N)nc(-c2ccccc2)c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.40
ADORA1 P30542 13/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
PDE1C Q14123 2/20 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
SCHEMBL6135151 0.92 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BHRH3
SCHEMBL6133677 0.90 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BHRH3
SCHEMBL6133969 0.90 MGMT (0.41) ADORA2AADORA1ALDH1A1
SCHEMBL6134581 0.90 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BHRH3
SCHEMBL6134659 0.89 ADORA2A (0.39) ADORA2AADORA1ALDH1A1ADORA3ADORA2B
SCHEMBL6134826 0.89 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BHRH3
SCHEMBL6133415 0.89 ALDH1A1 (0.39) ADORA2AADORA1ALDH1A1ADORA3
SCHEMBL6133517 0.89 ADORA2A (0.38) ADORA2AADORA1ADORA3
SCHEMBL6133778 0.88 ADORA2A (0.42) ADORA2AADORA1NPC1ALDH1A1RAB9A
SCHEMBL6134002 0.88 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BHRH3

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 ADORA2A 2/4885ADORA1 3/4885NPC1 4182/4885

“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.