SCHEMBL5056558

SCHEMBL5056558

CC(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(NS(C)(=O)=O)c3)cc2)c(-c2ccc3cnccc3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.38
KDR P35968 9/20 0.38
BRAF P15056 5/20 0.38
DDX3X O00571 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK14 Q16539 2/20 0.35
RIOK2 Q9BVS4 1/20 0.35
TEK Q02763 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
SCHEMBL5052296 0.91 ABL1 (0.43) KDRBRAFMAPK14TEK
SCHEMBL5059925 0.90 MAPK14 (0.45) IMPDH2KDRBRAFMAPK13RAF1
SCHEMBL5055058 0.90 IMPDH2 (0.40) IMPDH2KDRBRAFDDX3XMAPK13
SCHEMBL5052150 0.89 KDR (0.40) IMPDH2KDRBRAFPIK3CDPIK3CA
SCHEMBL5054772 0.88 FLT3 (0.38) KDRBRAFMAPK14
SCHEMBL5052098 0.88 KDR (0.37) KDRBRAFRAF1MAPK14TEK
SCHEMBL5056510 0.87 ABL1 (0.44) KDRBRAFRAF1MAPK14TEK
SCHEMBL5056463 0.85 RAF1 (0.51) KDRBRAFMAPK13RAF1MAPK14
SCHEMBL5055322 0.84 KDR (0.40) KDRBRAFMAPK14TEK
SCHEMBL5052213 0.84 KDR (0.37) KDRBRAFMAPK14TEK

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 1641/4885KDR 41/4885BRAF 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.