SCHEMBL5055058

SCHEMBL5055058

CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4cnccc4c3)cc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.40
DDX3X O00571 1/20 0.39
KDR P35968 6/20 0.38
BRAF P15056 6/20 0.38
RAF1 P04049 4/20 0.37
MAPK13 O15264 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
MAPK14 Q16539 3/20 0.37
TNNI3K Q59H18 1/20 0.36
RIPK2 O43353 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL5059925 0.92 MAPK14 (0.45) IMPDH2KDRBRAFRAF1MAPK13
SCHEMBL5055293 0.91 MAPK14 (0.47) KDRBRAFMAPK13MAPK14
SCHEMBL5052156 0.90 ABL1 (0.44) KDRBRAFRAF1MAPK13MAPK14
SCHEMBL5056558 0.90 IMPDH2 (0.38) IMPDH2DDX3XKDRBRAFRAF1
SCHEMBL5055087 0.90 KDR (0.40) IMPDH2DDX3XKDRBRAFRAF1
SCHEMBL5056313 0.87 FDPS (0.40) KDRBRAFMAPK13MAPK14ROCK2
SCHEMBL5054508 0.87 KDR (0.37) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL5055064 0.87 ABL1 (0.46) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL5056463 0.87 RAF1 (0.51) KDRBRAFRAF1MAPK13MAPK14
SCHEMBL5060620 0.85 KDR (0.54) KDR

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 IMPDH2 1641/4885DDX3X 3159/4885KDR 41/4885

“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.