SCHEMBL1943232

SCHEMBL1943232

Cc1cc(C=O)cc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
LCK P06239 7/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CYP17A1 P05093 1/20 0.36
ATR Q13535 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
CA2 P00918 1/20 0.35
TGFBR1 P36897 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
MIF P14174 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL29955278 0.86 ATR (0.44) SCN9ALCKGSK3BDYRK1ACA1
SCHEMBL6183699 0.83 CYP1A2 (0.41) SCN9ALCKGSK3BDYRK1ACA1
SCHEMBL30711674 0.82 LCK (0.51) LCK
SCHEMBL2113744 0.82 LCK (0.51) LCK
SCHEMBL23467642 0.79 LCK (0.48) SCN9ALCKGSK3BDYRK1ACA1
SCHEMBL21590399 0.79 CYP1A2 (0.41) SCN9ALCKGSK3BDYRK1AATR
SCHEMBL22809486 0.79 PIK3CG (0.45) LCK
SCHEMBL22213871 0.77 AAK1 (0.38) SCN9ALCKGSK3BDYRK1ACA1
SCHEMBL1838240 0.77 LCK (0.46) SCN9ALCKGSK3BDYRK1ACA1
SCHEMBL1258539 0.77 ATR (0.47) GSK3BDYRK1ACA1CA12CA9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use DE LERA RUIZ MANUEL 2011-06-09 US disclosed
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use DE LERA RUIZ MANUEL 2011-06-09 US disclosed
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7531660-B2 1-[[1-[(2-amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-B]pyridin-3-YL]piperidine and methods of use thereof SCHERING CORPORATION (US) 2009-05-12 US disclosed
US-7531660-B2 1-[[1-[(2-amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-B]pyridin-3-YL]piperidine and methods of use thereof SCHERING CORPORATION (US) 2009-05-12 US disclosed
EP-1931665-A1 1-[[1-[(2-AMIN0-6-METHYL-4-PYRIDINYL)METHYL]-4-FLU0R0-4-PIPERIDINYL,]CARBONYL]-4-[2-(2-PYRIDINYL)-3H-IMIDAZ0[4, 5-B]PYRIDIN-3-YL]PIPERIDINE USEFUL AS HISTAMINE H3 ANTAGONIST SCHERING CORPORATION (US) 2008-06-18 EP disclosed
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof SCHERING CORPORATION 2008-03-06 US disclosed
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof SCHERING CORPORATION 2008-03-06 US disclosed
US-7332604-B2 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION (US) 2008-02-19 US disclosed
US-7332604-B2 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION (US) 2008-02-19 US disclosed
WO-2007075629-A2 PHENOXYPIPERIDINES AND ANALOGS THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 WO disclosed
WO-2007035703-A1 1- [ [1- [ (2-AMIN0-6-METHYL-4-PYRIDINYL) METHYL] -4-FLU0R0-4-PIPERIDINYL,] CARBONYL] -4- [2- (2-PYRIDINYL) -3H-IMIDAZ0 [4 , 5-B] PYRIDIN-3-YL] PIPERIDINE USEFUL AS HISTAMINE H3 ANTAGONIST SCHERING CORPORATION (US) 2007-03-29 WO disclosed
WO-2007035703-A1 1- [ [1- [ (2-AMIN0-6-METHYL-4-PYRIDINYL) METHYL] -4-FLU0R0-4-PIPERIDINYL,] CARBONYL] -4- [2- (2-PYRIDINYL) -3H-IMIDAZ0 [4 , 5-B] PYRIDIN-3-YL] PIPERIDINE USEFUL AS HISTAMINE H3 ANTAGONIST SCHERING CORPORATION (US) 2007-03-29 WO disclosed
US-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION 2007-03-22 US disclosed
US-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION 2007-03-22 US disclosed
EP-1404672-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-01-18 EP disclosed
US-6875767-B2 (5-cyano-2-thiazolyl)amino-4-pyridine tyrosine kinase inhibitors MERCK & CO., INC. (US) 2005-04-05 US disclosed
EP-1404672-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2004-04-07 EP disclosed
US-20030100567-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2003-05-29 US disclosed
WO-2003000687-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-01-03 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-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine FABP1, GPR119, FABP4 SCN9A 3571/4885LCK 2845/4885GSK3B 1877/4885
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use GPR119, CNR1, CNR2 SCN9A 1631/4885LCK 2924/4885GSK3B 4303/4885
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof FABP1, LIPC, GPR119 SCN9A 3916/4885LCK 2811/4885GSK3B 1953/4885
US-20030100567-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SCN9A 4740/4885LCK 16/4885GSK3B 229/4885

“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.