SCHEMBL5054508

SCHEMBL5054508

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.37
RAF1 P04049 6/20 0.37
BRAF P15056 7/20 0.37
MAPK14 Q16539 4/20 0.37
TNNI3K Q59H18 1/20 0.37
EPHX2 P34913 1/20 0.35
RIPK2 O43353 1/20 0.35

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
SCHEMBL5054970 0.93 MAPK14 (0.43) KDRBRAFMAPK14
SCHEMBL5060140 0.91 MAPK14 (0.46) KDRBRAFMAPK14
SCHEMBL5055055 0.91 KDR (0.40) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5052098 0.91 KDR (0.37) KDRRAF1BRAFMAPK14EPHX2
SCHEMBL5055362 0.88 RAF1 (0.49) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5055058 0.87 IMPDH2 (0.40) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5055062 0.86 NPC1 (0.39) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5059872 0.85 KDR (0.44) KDRRAF1
SCHEMBL5052156 0.85 ABL1 (0.44) KDRRAF1BRAFMAPK14TNNI3K
SCHEMBL5056313 0.85 FDPS (0.40) KDRBRAFMAPK14

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.