SCHEMBL16850488

SCHEMBL16850488

CC(=O)Nc1cc(-c2nc(Cc3ccccc3)c(-c3nnc[nH]3)s2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
AURKA O14965 1/20 0.44
GSK3A P49840 1/20 0.44
MAPK14 Q16539 7/20 0.44
PIK3CA P42336 2/20 0.43
PIP5K1C O60331 1/20 0.43
PIK3C3 Q8NEB9 7/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR142 Q7Z601 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL10308567 0.92 MAPK14 (0.42) GSK3BMAPK14PIK3CAPIP5K1CPIK3C3
SCHEMBL10288318 0.91 PIK3C3 (0.46) GSK3BAURKAGSK3AMAPK14PIK3CA
SCHEMBL627288 0.91 PIK3C3 (0.43) GSK3BAURKAGSK3AMAPK14PIK3CA
SCHEMBL626764 0.88 MAPK14 (0.44) GSK3BAURKAGSK3AMAPK14PIK3CA
SCHEMBL953124 0.86 MAPK14 (0.47) MAPK14PIK3CAPIP5K1CPIK3C3MAPT
SCHEMBL953912 0.81 MAPK14 (0.42) GSK3BMAPK14PIK3C3
SCHEMBL6842878 0.81 MAPK14 (0.49) GSK3BMAPK14PIK3CAPIP5K1CPIK3C3
SCHEMBL954822 0.80 MAPK14 (0.45) GSK3BMAPK14PIK3CAPIP5K1CPIK3C3
SCHEMBL10288547 0.80 PIK3C3 (0.43) GSK3BMAPK14PIK3CAPIP5K1CPIK3C3
SCHEMBL10288393 0.79 ACHE (0.35) GSK3BMAPK14MAPTGPR142ACHE

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-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US 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-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 GSK3B 57/4885AURKA 1184/4885GSK3A 49/4885

“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.