SCHEMBL15051389

SCHEMBL15051389

CC(=O)Nc1cc(-c2cc(-c3ccccc3C)c(-c3nnc[nH]3)n2COCC[Si](C)(C)C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.37
PIK3C3 Q8NEB9 7/20 0.36
NR3C2 P08235 1/20 0.36
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MAPK10 P53779 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
BUB1 O43683 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
AURKA O14965 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
SCHEMBL15051361 0.83 NR3C2 (0.42) PIK3C3NR3C2CYP3A4AAK1MAPK10
SCHEMBL25252267 0.72 PIK3C3 (0.40) MAPK14PIK3C3CYP3A4AAK1MAPK10
SCHEMBL15051156 0.72 PIK3C3 (0.42) MAPK14PIK3C3MAPK10MAPK8MAPK9
SCHEMBL15051277 0.70 AAK1 (0.43) MAPK14PIK3C3NR3C2CYP3A4AAK1
SCHEMBL15051550 0.70 MAPK10 (0.43) MAPK14PIK3C3NR3C2MAPK10MAPK8
SCHEMBL15050272 0.69 DGAT1 (0.43) MAPK14PIK3C3CYP3A4AAK1MAPK10
SCHEMBL29429898 0.68 MAPK14 (0.55) MAPK14MAPK10
SCHEMBL6842878 0.68 MAPK14 (0.49) MAPK14PIK3C3MAPK10MAPK8MAPK9
SCHEMBL15050234 0.68 MAPK14 (0.41) MAPK14PIK3C3CYP3A4AAK1MAPK10
SCHEMBL25217236 0.68 TGFBR1 (0.40) MAPK14MAPK10BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 1291/4885PIK3C3 143/4885NR3C2 3161/4885

“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.