SCHEMBL2084628

SCHEMBL2084628

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)n(-c2ccc3c(c2)CCN3S(C)(=O)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.48
ROCK2 O75116 2/20 0.47
MAP4K4 O95819 2/20 0.47
LCK P06239 2/20 0.47
RET P07949 2/20 0.47
PIM1 P11309 2/20 0.47
RPS6KB1 P23443 2/20 0.47
BLK P51451 2/20 0.47
STK3 Q13188 2/20 0.47
ROCK1 Q13464 2/20 0.47
NTRK3 Q16288 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
HIPK4 Q8NE63 2/20 0.47
AURKB Q96GD4 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
PRKD3 O94806 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL2081755 0.87 KDR (0.47) KDRROCK2MAP4K4LCKRET
SCHEMBL5054994 0.86 KDR (0.53) KDRROCK2MAP4K4LCKRET
SCHEMBL5052179 0.85 KDR (0.54) KDRROCK2MAP4K4LCKRET
SCHEMBL2085188 0.84 KDR (0.52) KDRROCK2MAP4K4LCKRET
SCHEMBL5542477 0.84 KDR (0.51) KDRROCK2MAP4K4LCKRET
SCHEMBL5060551 0.83 KDR (0.53) KDRROCK2MAP4K4LCKRET
SCHEMBL2082144 0.83 KDR (0.53) KDRROCK2MAP4K4LCKRET
Hydrochloric Acid SCHEMBL2082034 0.83 KDR (0.53) KDRROCK2MAP4K4LCKRET
SCHEMBL5052256 0.82 KDR (0.58) KDRROCK2MAP4K4LCKRET
SCHEMBL5054928 0.82 KDR (0.60) KDRROCK2MAP4K4LCKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO claimed
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP 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-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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 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-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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 (2 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK KDR 20/4885ROCK2 170/4885MAP4K4 65/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 KDR 41/4885ROCK2 287/4885MAP4K4 30/4885

“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.