SCHEMBL6133736

SCHEMBL6133736

COc1nc(N)nc(-c2ccc(F)cc2)c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.41
ADORA1 P30542 16/20 0.41
ADORA2B P29275 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
RICTOR Q6R327 1/20 0.37
RPTOR Q8N122 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
MAPK14 Q16539 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
RET P07949 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
SCHEMBL6133778 0.89 ADORA2A (0.42) ADORA2AADORA1ADORA2BPIK3CAMTOR
SCHEMBL6133508 0.88 MTOR (0.37) ADORA2AADORA1PIK3CAMTORRICTOR
SCHEMBL6133695 0.87 IKBKB (0.37) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL6134202 0.86 PIK3CA (0.35) ADORA2AADORA1PIK3CAMTORRICTOR
SCHEMBL6134309 0.83 ADORA2A (0.41) ADORA2AADORA1ADORA2BADORA3MAPK14
SCHEMBL6134875 0.81 ADORA2A (0.40) ADORA2AADORA1ADORA2BADORA3MAPK14
SCHEMBL6133555 0.80 ADORA2A (0.41) ADORA2AADORA1ADORA2B
SCHEMBL6133268 0.79 CALCA (0.41) ADORA2AADORA1ADORA2BADORA3PIK3CA
SCHEMBL6133734 0.79 ADORA2A (0.45) ADORA2AADORA1ADORA2B
SCHEMBL6134113 0.79 ADORA2A (0.43) ADORA2AADORA1ADORA2BADORA3HRH3

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.