SCHEMBL5055055

SCHEMBL5055055

CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)(C)C)nc3-c3ccc4oncc4c3)cc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.40
RAF1 P04049 6/20 0.40
BRAF P15056 7/20 0.39
MAPK14 Q16539 4/20 0.38
TNNI3K Q59H18 1/20 0.38
RIPK2 O43353 1/20 0.37
MAPK13 O15264 1/20 0.36
EPHX2 P34913 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 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
SCHEMBL5054872 0.91 MAPK14 (0.47) KDRBRAFMAPK14MAPK13
SCHEMBL5054927 0.91 MAPK14 (0.45) KDRRAF1BRAFMAPK14MAPK13
SCHEMBL5054508 0.91 KDR (0.37) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5052197 0.89 KDR (0.39) KDRRAF1BRAFMAPK14RIPK2
SCHEMBL5055087 0.88 KDR (0.40) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5062347 0.87 KDR (0.39) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5059949 0.87 RAF1 (0.53) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5060142 0.86 ABL1 (0.46) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5052154 0.86 FDPS (0.38) KDRBRAFMAPK14RIPK2MAPK13
SCHEMBL5054943 0.84 KDR (0.44) KDRRAF1

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 41/4885RAF1 55/4885BRAF 2/4885

“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.