SCHEMBL691690

SCHEMBL691690

CNC(=O)c1cc(F)ccc1Nc1cc(Cl)ncc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.48
MAPK10 P53779 2/20 0.47
MAPK8 P45983 1/20 0.47
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
JAK1 P23458 6/20 0.43
TYK2 P29597 6/20 0.43
JAK2 O60674 5/20 0.43
PDE4D Q08499 5/20 0.43
MT-CO2 P00403 2/20 0.43
TOP1 P11387 2/20 0.43
ULK1 O75385 1/20 0.41
PDE10A Q9Y233 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
PTK2 Q05397 2/20 0.41
MAPK9 P45984 1/20 0.40
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL1293018 0.90 MAPK8 (0.47) NUDT1MAPK10MAPK8MAPK3MAPK1
SCHEMBL29777580 0.87 PTK2 (0.46) MAPK10MAPK8MAPK3JAK1TYK2
SCHEMBL1230888 0.86 MAPK3 (0.52) NUDT1MAPK10MAPK8MAPK3MAPK1
SCHEMBL29777593 0.83 MAPK10 (0.65) MAPK10MAPK8MAPK3MAPK1JAK1
SCHEMBL690590 0.83 MAPK10 (0.65) MAPK10MAPK8MAPK3MAPK1JAK1
SCHEMBL375776 0.81 ULK1 (0.53) NUDT1MAPK10MAPK8MAPK3ULK1
SCHEMBL12311835 0.79 ULK1 (0.59) MAPK10MAPK8MAPK3ULK1PTK2
SCHEMBL690192 0.78 MAPK1 (0.66) NUDT1MAPK10MAPK8MAPK3MAPK1
SCHEMBL1559287 0.78 MAPK1 (0.48) MAPK10MAPK3MAPK1JAK1TYK2
SCHEMBL1293000 0.78 NUDT1 (0.47) NUDT1MAPK10MAPK8MAPK3MAPK1

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-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
US-9012479-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2015-04-21 US disclosed
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-06-05 US disclosed
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-06-05 US disclosed
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-06-05 US disclosed
EP-2303861-B1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2014-04-23 EP disclosed
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-04-17 US disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
EP-2421537-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2012-02-29 EP disclosed
US-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US disclosed
US-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US disclosed
US-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US disclosed
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 US disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US disclosed
EP-2303861-A1 PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2011-04-06 EP disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 US disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 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 (8 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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN NUDT1 2954/4885MAPK10 656/4885MAPK8 912/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN NUDT1 2954/4885MAPK10 656/4885MAPK8 912/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN NUDT1 2954/4885MAPK10 656/4885MAPK8 912/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN NUDT1 2954/4885MAPK10 656/4885MAPK8 912/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN NUDT1 2954/4885MAPK10 656/4885MAPK8 912/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP NUDT1 1346/4885MAPK10 301/4885MAPK8 376/4885
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN NUDT1 2954/4885MAPK10 656/4885MAPK8 912/4885
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN NUDT1 2954/4885MAPK10 656/4885MAPK8 912/4885

“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.