SCHEMBL5061968

SCHEMBL5061968

CC(C)Nc1cc(Oc2ccc(NC(=O)Nc3cn(C(C)(C)C)nc3-c3ccc4[nH]cnc4c3)cc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
KDR P35968 15/20 0.39
BRAF P15056 8/20 0.39
MAPK14 Q16539 3/20 0.36
TNNI3K Q59H18 1/20 0.36
RAF1 P04049 3/20 0.36
MAPK13 O15264 2/20 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
SCHEMBL5052145 0.91 MAPK14 (0.46) KDRBRAFMAPK14MAPK13
SCHEMBL5060550 0.91 MAPK14 (0.44) AURKAAURKBKDRBRAFMAPK14
SCHEMBL5056291 0.90 KDR (0.38) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL5060119 0.89 KDR (0.40) AURKAAURKBKDRBRAFMAPK14
SCHEMBL5052154 0.86 FDPS (0.38) AURKAAURKBKDRBRAFMAPK14
SCHEMBL5062224 0.86 RAF1 (0.51) AURKAAURKBKDRBRAFMAPK14
SCHEMBL5062347 0.85 KDR (0.39) AURKAAURKBKDRBRAFMAPK14
SCHEMBL5052398 0.85 KDR (0.39) AURKAAURKBKDRBRAFMAPK14
SCHEMBL5055095 0.85 KDR (0.47) AURKAAURKBKDRRAF1
SCHEMBL5055087 0.84 KDR (0.40) AURKAAURKBKDRBRAFMAPK14

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 AURKA 1192/4885AURKB 916/4885KDR 41/4885

“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.