SCHEMBL6133778

SCHEMBL6133778

COc1nc(N)nc(-c2ccccc2)c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.42
ADORA1 P30542 14/20 0.42
ADORA2B P29275 2/20 0.40
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
CASR P41180 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 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
SCHEMBL6133555 0.90 ADORA2A (0.41) ADORA2AADORA1ADORA2BTP53
SCHEMBL6134113 0.89 ADORA2A (0.43) ADORA2AADORA1ADORA2BTP53
SCHEMBL6133736 0.89 ADORA2A (0.41) ADORA2AADORA1ADORA2BPIK3CAMTOR
SCHEMBL6133772 0.88 ADORA2A (0.40) ADORA2AADORA1ADORA2BNPC1ALDH1A1
SCHEMBL6133508 0.88 MTOR (0.37) ADORA2AADORA1PIK3CAMTORRICTOR
SCHEMBL6134659 0.88 ADORA2A (0.39) ADORA2AADORA1ADORA2BALDH1A1TP53
SCHEMBL6133963 0.87 HRH3 (0.44) ADORA2AADORA1
SCHEMBL6133695 0.86 IKBKB (0.37) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL6133969 0.86 MGMT (0.41) ADORA2AADORA1ALDH1A1
SCHEMBL6135151 0.86 ADORA2A (0.40) ADORA2AADORA1ADORA2B

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 3/4885ADORA2B 1/4885

“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.