SCHEMBL5059865

SCHEMBL5059865

CC(C)(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2)c(-c2ccc3cnccc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.44
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
RAF1 P04049 3/20 0.38
MAPK13 O15264 1/20 0.38
FLT1 P17948 1/20 0.38
IMPDH2 P12268 1/20 0.37

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
SCHEMBL5059922 0.91 KDR (0.41) KDRMAPK13FLT1
SCHEMBL5055260 0.91 ABL1 (0.45) KDRRAF1FLT1
SCHEMBL5052255 0.90 KDR (0.44) KDRRAF1FLT1
SCHEMBL5062137 0.89 KDR (0.45) KDRFLT1IMPDH2
SCHEMBL5056625 0.89 ABL1 (0.46) KDRAURKAAURKBRAF1FLT1
SCHEMBL5054943 0.89 KDR (0.44) KDRRAF1FLT1
SCHEMBL5062413 0.88 KDR (0.55) KDR
SCHEMBL5056402 0.88 KDR (0.50) KDRRAF1FLT1
SCHEMBL5055095 0.86 KDR (0.47) KDRAURKAAURKBRAF1FLT1
SCHEMBL5062672 0.86 KDR (0.48) KDRRAF1FLT1

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 41/4885AURKA 1192/4885AURKB 916/4885

“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.