SCHEMBL5052255

SCHEMBL5052255

CC(C)(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2)c(-c2ccc3[nH]ncc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.44
RAF1 P04049 2/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
FLT1 P17948 1/20 0.38
RIPK2 O43353 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
SCHEMBL5056650 0.91 KDR (0.41) KDRFLT1
SCHEMBL5059865 0.90 KDR (0.44) KDRRAF1FLT1
SCHEMBL5052318 0.89 KDR (0.45) KDRROCK2ROCK1FLT1
SCHEMBL5054943 0.89 KDR (0.44) KDRRAF1FLT1
SCHEMBL5056625 0.89 ABL1 (0.46) KDRRAF1ROCK2FLT1
SCHEMBL5056402 0.88 KDR (0.50) KDRRAF1FLT1
SCHEMBL5055260 0.88 ABL1 (0.45) KDRRAF1FLT1
SCHEMBL5055095 0.88 KDR (0.47) KDRRAF1FLT1
SCHEMBL5052184 0.88 MAPK14 (0.43) KDRROCK2ROCK1RIPK2
SCHEMBL5054813 0.87 RAF1 (0.50) KDRRAF1FLT1RIPK2

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 41/4885RAF1 55/4885ROCK2 287/4885

“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.