SCHEMBL5055047

SCHEMBL5055047

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2)n(-c2ccc3c(c2)CCNC3)n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.61
MAPK13 O15264 2/20 0.52
BRAF P15056 11/20 0.52
MAPK14 Q16539 2/20 0.52
AXL P30530 1/20 0.51
SRC P12931 2/20 0.49
NTRK1 P04629 2/20 0.47
AURKA O14965 1/20 0.46

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
SCHEMBL30681063 0.91 ABL1 (0.75) ABL1BRAFMAPK14AXLSRC
SCHEMBL2030799 0.91 ABL1 (0.75) ABL1BRAFMAPK14AXLSRC
SCHEMBL5052249 0.90 ABL1 (0.60) ABL1MAPK13BRAFMAPK14AXL
SCHEMBL5056456 0.90 ABL1 (0.50) ABL1MAPK13BRAFMAPK14AXL
SCHEMBL5062250 0.89 MAPK13 (0.51) ABL1MAPK13BRAFMAPK14AXL
SCHEMBL30681081 0.88 ABL1 (0.71) ABL1BRAFMAPK14AXLSRC
SCHEMBL3076188 0.88 ABL1 (0.71) ABL1BRAFMAPK14AXLSRC
SCHEMBL5054993 0.88 MAPK13 (0.52) ABL1MAPK13BRAFMAPK14AXL
Hydrochloric Acid SCHEMBL2030220 0.88 ABL1 (0.70) ABL1BRAFMAPK14AXLSRC
SCHEMBL5055115 0.85 ABL1 (0.64) ABL1MAPK13BRAFMAPK14AXL

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 ABL1 20/4885MAPK13 118/4885BRAF 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.