SCHEMBL6133508

SCHEMBL6133508

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.37
PIK3CA P42336 3/20 0.37
RICTOR Q6R327 2/20 0.37
RPTOR Q8N122 2/20 0.37
MAPKAP1 Q9BPZ7 2/20 0.37
MLST8 Q9BVC4 2/20 0.37
HRH3 Q9Y5N1 2/20 0.35
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
ADORA1 P30542 5/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
ADORA2A P29274 5/20 0.32
SRC P12931 4/20 0.32
ABL1 P00519 3/20 0.32
HCK P08631 2/20 0.32

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
SCHEMBL6133736 0.88 ADORA2A (0.41) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL6133778 0.88 ADORA2A (0.42) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL6134761 0.86 BMPR1B (0.33) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL6133695 0.86 IKBKB (0.37) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL6134202 0.85 PIK3CA (0.35) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL6133555 0.79 ADORA2A (0.41) ADORA1ADORA2A
SCHEMBL6134309 0.78 ADORA2A (0.41) ADORA1ADORA2A
SCHEMBL6134113 0.78 ADORA2A (0.43) HRH3ADORA1ADORA2A
SCHEMBL6133889 0.78 ADORA2A (0.42) ADORA1ADORA2A
SCHEMBL6133772 0.77 ADORA2A (0.40) HRH3ADORA1ADORA2AMAPT

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 MTOR 1987/4885PIK3CA 1111/4885RICTOR 2862/4885

“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.