SCHEMBL5060418

SCHEMBL5060418

CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)C)nc3-c3ccc4scnc4c3)cc2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.37
BRAF P15056 9/20 0.37
MAPK14 Q16539 4/20 0.36
TNNI3K Q59H18 1/20 0.36
RAF1 P04049 2/20 0.35
RIPK2 O43353 1/20 0.34
LCK P06239 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL5056399 0.92 MAPK14 (0.44) KDRBRAFMAPK14LCK
SCHEMBL5055043 0.91 MAPK14 (0.46) KDRBRAFMAPK14
SCHEMBL5052398 0.90 KDR (0.39) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL5052213 0.90 KDR (0.37) KDRBRAFMAPK14RIPK2
SCHEMBL5056291 0.85 KDR (0.38) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL5055062 0.85 NPC1 (0.39) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL5062305 0.85 KDR (0.43) KDR
SCHEMBL5055064 0.84 ABL1 (0.46) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL5055284 0.84 MAPK14 (0.55) KDRBRAFMAPK14
SCHEMBL5055058 0.83 IMPDH2 (0.40) KDRBRAFMAPK14TNNI3KRAF1

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 41/4885BRAF 2/4885MAPK14 100/4885

“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.