SCHEMBL5056378

SCHEMBL5056378

CN1CCc2cc(-n3nc(C(C)(C)C)cc3NC(=O)Nc3cccc(-c4cccc5c4CNC5=O)c3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.47
MAPK14 Q16539 11/20 0.45
MAPK13 O15264 10/20 0.45
MAPK12 P53778 10/20 0.45
MAPK11 Q15759 10/20 0.45
ROCK2 O75116 2/20 0.45
RET P07949 2/20 0.45
FLT1 P17948 2/20 0.45
EPHA2 P29317 2/20 0.45
FLT4 P35916 2/20 0.45
FLT3 P36888 2/20 0.45
AURKB Q96GD4 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
MET P08581 1/20 0.45

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
SCHEMBL5052179 0.94 KDR (0.54) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5054994 0.91 KDR (0.53) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5054766 0.89 KDR (0.45) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5052411 0.89 KDR (0.51) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5055155 0.88 ABL1 (0.49) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5052081 0.87 KDR (0.46) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5054874 0.87 KDR (0.52) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5062437 0.86 ABL1 (0.48) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5542477 0.85 KDR (0.51) KDRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5056467 0.84 BRAF (0.56) KDRMAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 KDR 41/4885MAPK14 100/4885MAPK13 118/4885

“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.