SCHEMBL1126281

SCHEMBL1126281

CC(C)(C)OC(=O)Nc1ccc(CN2CCNC(=O)C2(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
GRIN2B Q13224 1/20 0.40
HDAC1 Q13547 1/20 0.40
IGF1R P08069 1/20 0.39
EPHX2 P34913 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
SCN9A Q15858 2/20 0.37
F10 P00742 1/20 0.37
FGFR3 P22607 1/20 0.37
WNT3A P56704 3/20 0.36
CYP17A1 P05093 1/20 0.36
BCL2 P10415 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL1126385 0.83 NAMPT (0.46) NAMPTGRIN2BHDAC1IGF1RGSK3B
SCHEMBL27914666 0.80 EPHX2 (0.38) EPHX2GSK3BSCN9A
SCHEMBL1126401 0.78 NAMPT (0.47) NAMPTGRIN2BHDAC1IGF1RGSK3B
SCHEMBL27914665 0.77 SCN9A (0.43) EPHX2SCN9A
SCHEMBL15618408 0.76 FGFR3 (0.51) NAMPTGRIN2BHDAC1GSK3BDYRK1A
SCHEMBL1126359 0.76 NAMPT (0.50) NAMPTGRIN2BHDAC1GSK3BDYRK1A
SCHEMBL1897260 0.75 HIF1A (0.55) NAMPTGRIN2BF10
SCHEMBL15354526 0.73 NAMPT (0.50) NAMPTGRIN2BHDAC1GSK3BDYRK1A
SCHEMBL540536 0.73 NAMPT (0.50) NAMPTGRIN2BHDAC1GSK3BDYRK1A
SCHEMBL1126127 0.72 NAMPT (0.42) NAMPTGRIN2BHDAC1FGFR3MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US disclosed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 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 (4 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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 NAMPT 341/4885GRIN2B 1706/4885HDAC1 1552/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK NAMPT 408/4885GRIN2B 2583/4885HDAC1 2170/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK NAMPT 408/4885GRIN2B 2583/4885HDAC1 2170/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK NAMPT 408/4885GRIN2B 2583/4885HDAC1 2170/4885

“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.