SCHEMBL1333209

SCHEMBL1333209

Nc1ccc(-c2cccc3c2CNC3=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.57
CLK4 Q9HAZ1 5/20 0.54
PIM1 P11309 5/20 0.54
ROCK1 Q13464 5/20 0.54
DYRK1A Q13627 4/20 0.54
CDK5 Q00535 2/20 0.54
CSNK1A1 P48729 1/20 0.54
LRRK2 Q5S007 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
LTK P29376 1/20 0.51
MST1R Q04912 1/20 0.51
ROCK2 O75116 5/20 0.50
MAP4K4 O95819 4/20 0.50
AURKB Q96GD4 4/20 0.50
STK3 Q13188 3/20 0.50
NTRK3 Q16288 3/20 0.50
TAOK1 Q7L7X3 3/20 0.50

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
SCHEMBL30331758 0.84 PARP10 (0.69) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL19608227 0.83 PIK3CD (0.64) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL28223904 0.83 PIK3CD (0.64) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL28860691 0.82 KDR (0.54) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL29845432 0.81 CLK4 (0.57) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL30775282 0.80 KDR (0.58) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL30543353 0.79 KDR (0.62) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL30543378 0.79 GRM2 (0.44) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL29222581 0.79 GRM2 (0.44) KDRCLK4PIM1ROCK1DYRK1A
SCHEMBL30775285 0.79 KDR (0.57) KDRCLK4PIM1ROCK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
WO-2012061602-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-05-10 WO disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2011-11-10 US disclosed
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20060287370-A1 Isoindolinone kinase inhibitors CURTIN MICHAEL L 2006-12-21 US disclosed
US-7129260-B2 Isoindolinone kinase inhibitors ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
EP-1633710-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS Abbott Laboratories (US) 2006-03-15 EP disclosed
US-20050026976-A1 Isoindolinone kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
WO-2004108672-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-16 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 (9 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK KDR 2131/4885CLK4 3582/4885PIM1 2350/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 KDR 2828/4885CLK4 4430/4885PIM1 4079/4885
US-20060287370-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 KDR 527/4885CLK4 604/4885PIM1 286/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 KDR 2828/4885CLK4 4430/4885PIM1 4079/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK KDR 20/4885CLK4 1236/4885PIM1 201/4885
US-20050026976-A1 Isoindolinone kinase inhibitors ABL1, LCK, MAP3K7 KDR 527/4885CLK4 604/4885PIM1 286/4885
US-20100076051-A1 ISOINDOLINONE KINASE INHIBITORS ABL1, LCK, MAP3K7 KDR 527/4885CLK4 604/4885PIM1 286/4885
US-20110275630-A1 ISOINDOLINONE KINASE INHIBITORS MAP3K7, MAP3K5, MAP3K20 KDR 909/4885CLK4 483/4885PIM1 331/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 KDR 41/4885CLK4 1222/4885PIM1 196/4885

“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.