SCHEMBL5062014

SCHEMBL5062014

CC(C)(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2F)c(-c2ccc3[nH]cnc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.43
FLT1 P17948 3/20 0.40
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL5055095 0.92 KDR (0.47) KDRFLT1
SCHEMBL5054875 0.90 KDR (0.43) KDRFLT1MAPK14
SCHEMBL5055224 0.89 MAPK14 (0.45) KDRFLT1MAPK14MAPK13ABL1
SCHEMBL5056650 0.88 KDR (0.41) KDRFLT1MAPK14MAPK13ABL1
SCHEMBL5054748 0.88 KDR (0.40) KDRFLT1MAPK14MAPK13ABL1
SCHEMBL5055074 0.88 KDR (0.39) KDRFLT1MAPK14MAPK13ABL1
SCHEMBL5056241 0.87 MAPK14 (0.46) KDRFLT1MAPK14MAPK13ABL1
SCHEMBL5054923 0.87 KDR (0.47) KDRFLT1MAPK14MAPK13ABL1
SCHEMBL5059922 0.87 KDR (0.41) KDRFLT1MAPK14MAPK13ABL1
SCHEMBL5059826 0.86 MAPK14 (0.56) KDRMAPK14MAPK13ABL1

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 41/4885FLT1 44/4885MAPK14 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.