SCHEMBL2298543

SCHEMBL2298543

Cc1cn(C)c2cc(NC(=O)OC(C)(C)C)ncc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 11/20 0.61
GSK3B P49841 1/20 0.49
DYRK1A Q13627 1/20 0.49
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
RORC P51449 1/20 0.37
MAP4K1 Q92918 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
CDK9 P50750 1/20 0.36
CACNA1H O95180 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL12348928 0.88 MAP3K5 (0.62) MAP3K5GSK3BDYRK1AMAPK1RORC
SCHEMBL14151453 0.85 MAP3K5 (0.64) MAP3K5GSK3BDYRK1AMAPK1RORC
SCHEMBL28017273 0.84 MAP3K5 (0.69) MAP3K5CACNA1H
SCHEMBL2768194 0.78 GSK3B (0.47) MAP3K5GSK3BDYRK1AMAPK1CDK9
SCHEMBL12225872 0.78 GSK3B (0.48) GSK3BDYRK1AMAPK1CA12CA1
SCHEMBL14151806 0.77 GSK3B (0.55) MAP3K5GSK3BDYRK1AMAPK1CDK9
SCHEMBL2302288 0.76 MAP3K5 (0.76) MAP3K5
SCHEMBL2297030 0.76 MAP3K5 (1.00) MAP3K5
SCHEMBL2306148 0.75 MAP3K5 (0.64) MAP3K5GSK3BDYRK1AMAPK1CA12
SCHEMBL31511994 0.74 GSK3B (0.46) GSK3BDYRK1AMAPK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403819-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA CALIFORNIA, INC. 2014-11-06 US disclosed
US-8802695-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-12 US disclosed
EP-2531501-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-20 EP disclosed
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-13 US disclosed
EP-2531501-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-12-12 EP disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 WO disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 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 (2 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-20140329850-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885GSK3B 275/4885DYRK1A 1271/4885
US-20120316194-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885GSK3B 275/4885DYRK1A 1271/4885

“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.