SCHEMBL5052098

SCHEMBL5052098

CC(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2)c(-c2ccc3oncc3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.37
BRAF P15056 5/20 0.37
RAF1 P04049 4/20 0.36
MAPK14 Q16539 3/20 0.35
FLT3 P36888 1/20 0.34
TEK Q02763 1/20 0.34
EPHX2 P34913 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
SCHEMBL5054508 0.91 KDR (0.37) KDRBRAFRAF1MAPK14EPHX2
SCHEMBL5054970 0.91 MAPK14 (0.43) KDRBRAFMAPK14
SCHEMBL5052197 0.90 KDR (0.39) KDRBRAFRAF1MAPK14TEK
SCHEMBL5056558 0.88 IMPDH2 (0.38) KDRBRAFRAF1MAPK14TEK
SCHEMBL5060332 0.86 NPC1 (0.37) KDRBRAFRAF1MAPK14TEK
SCHEMBL5055362 0.86 RAF1 (0.49) KDRBRAFRAF1MAPK14FLT3
SCHEMBL5054772 0.86 FLT3 (0.38) KDRBRAFMAPK14FLT3
SCHEMBL5052296 0.86 ABL1 (0.43) KDRBRAFMAPK14TEK
SCHEMBL5056510 0.85 ABL1 (0.44) KDRBRAFRAF1MAPK14FLT3
SCHEMBL5059872 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 41/4885BRAF 2/4885RAF1 55/4885

“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.