SCHEMBL2707992

SCHEMBL2707992

CN(C)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.52
SORT1 Q99523 1/20 0.52
KLKB1 P03952 1/20 0.48
MAPK14 Q16539 9/20 0.46
CDK8 P49336 7/20 0.46
RET P07949 6/20 0.46
PDGFRA P16234 5/20 0.46
PAK4 O96013 3/20 0.46
MAP4K5 Q9Y4K4 2/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRKD3 O94806 3/20 0.43
LRRK2 Q5S007 2/20 0.43
MAPK9 P45984 1/20 0.43
NTRK1 P04629 2/20 0.42
LTK P29376 2/20 0.42
CDK7 P50613 2/20 0.42
TYRO3 Q06418 2/20 0.42
NTRK3 Q16288 2/20 0.42

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
SCHEMBL2707993 0.85 MAPK14 (0.47) GRNSORT1MAPK14CDK8RET
SCHEMBL5048482 0.81 RIPK2 (0.58) GRNSORT1KLKB1MAPK14CDK8
SCHEMBL4718807 0.81 GRN (0.78) GRNSORT1MAPK14CDK8JAK2
SCHEMBL2725769 0.80 GRN (0.51) GRNSORT1KLKB1MAPK14CARM1
SCHEMBL2084183 0.77 GRN (0.49) GRNSORT1KLKB1MAPK14CDK8
SCHEMBL1600416 0.75 CDK8 (0.64) GRNSORT1MAPK14CDK8RET
SCHEMBL2788301 0.74 GRN (0.58) GRNSORT1MAPK14CDK8RET
SCHEMBL5044074 0.73 GRN (0.51) GRNSORT1MAPK14CDK8RET
SCHEMBL17064344 0.73 KLKB1 (0.84) KLKB1
SCHEMBL2706726 0.73 GRN (0.57) GRNSORT1MAPK14CDK8RET

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 GRN 621/4885SORT1 327/4885KLKB1 1075/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 GRN 2663/4885SORT1 4864/4885KLKB1 1107/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 GRN 2479/4885SORT1 4871/4885KLKB1 1344/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 GRN 621/4885SORT1 327/4885KLKB1 1075/4885

“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.