SCHEMBL15051156

SCHEMBL15051156

CC(=O)Nc1cc(-c2cc(-c3ccccc3C)c(-c3nnc[nH]3)[nH]2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 10/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
TGFBR1 P36897 2/20 0.40
GSK3B P49841 4/20 0.40
MAPK14 Q16539 3/20 0.40
TGFBR2 P37173 1/20 0.40
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
BUB1 O43683 2/20 0.39
AURKA O14965 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL15051461 0.81 GSK3B (0.45) PIK3C3MAPK8MAPK9MAPK10TGFBR1
SCHEMBL6842878 0.77 MAPK14 (0.49) PIK3C3MAPK8MAPK9MAPK10GSK3B
SCHEMBL15076909 0.76 PIK3C3 (0.47) PIK3C3GSK3BMAPK14PIP5K1CPIK3CA
SCHEMBL15051389 0.72 MAPK14 (0.37) PIK3C3MAPK8MAPK9MAPK10GSK3B
SCHEMBL954822 0.70 MAPK14 (0.45) PIK3C3MAPK8MAPK9MAPK10TGFBR1
SCHEMBL953124 0.69 MAPK14 (0.47) PIK3C3MAPK8MAPK9MAPK14PIP5K1C
SCHEMBL15051294 0.69 NR3C2 (0.51) PIK3C3TGFBR1TGFBR2
SCHEMBL12947666 0.68 PIK3C3 (0.44) PIK3C3TGFBR1GSK3BMAPK14PIP5K1C
SCHEMBL25209860 0.67 CCNB2 (0.51) PIK3C3GSK3BGSK3A
SCHEMBL15051235 0.67 PIK3C3 (0.43) PIK3C3GSK3BMAPK14BUB1AURKA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US claimed
EP-2793879-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B PIK3C3 143/4885MAPK8 543/4885MAPK9 908/4885

“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.