SCHEMBL2707993

SCHEMBL2707993

CN(C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.47
CDK8 P49336 7/20 0.47
RET P07949 6/20 0.47
PDGFRA P16234 5/20 0.47
PAK4 O96013 3/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
AURKB Q96GD4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
PRKD3 O94806 3/20 0.44
LRRK2 Q5S007 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
DDR2 Q16832 3/20 0.44
NTRK1 P04629 2/20 0.43
LTK P29376 2/20 0.43
CDK7 P50613 2/20 0.43

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
SCHEMBL2084183 0.87 GRN (0.49) MAPK14CDK8GRNSORT1MAPK9
SCHEMBL2082052 0.86 GRN (0.55) MAPK14GRNSORT1MAPK9MAPK13
SCHEMBL29397174 0.86 RARG (0.47) MAPK14CDK8GRNSORT1MAPK13
SCHEMBL2707992 0.85 GRN (0.52) MAPK14CDK8RETPDGFRAPAK4
SCHEMBL2084523 0.82 AOC2 (0.50) MAPK14CDK8RETPDGFRAPAK4
SCHEMBL13532243 0.82 TP53 (0.48) MAPK14GRNSORT1MAPK9MAPK13
Hydrochloric Acid SCHEMBL3173855 0.81 TP53 (0.47) MAPK14GRNSORT1MAPK9MAPK13
SCHEMBL398334 0.80 ALDH1A1 (0.48)
SCHEMBL13532246 0.78 NPY5R (0.45) MAPK14GRNSORT1MAPK9MAPK13
SCHEMBL1012342 0.77 MAPK14 (0.50) MAPK14GRNSORT1MAPK9MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US claimed
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 MAPK14 2568/4885CDK8 328/4885RET 198/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 MAPK14 106/4885CDK8 78/4885RET 371/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 MAPK14 101/4885CDK8 76/4885RET 385/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 MAPK14 2568/4885CDK8 328/4885RET 198/4885

“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.