SCHEMBL13648463

SCHEMBL13648463

CNC(=O)c1cc(Oc2cccc(NNC(=O)Nc3cc(C(F)(F)F)ccc3OCCOC)c2C)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.58
KDR P35968 2/20 0.49
RET P07949 2/20 0.49
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
MAPK13 O15264 1/20 0.49
JAK2 O60674 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
LYN P07948 1/20 0.49
ROS1 P08922 1/20 0.49
SRC P12931 1/20 0.49
RPS6KB1 P23443 1/20 0.49
EPHA2 P29317 1/20 0.49
TYK2 P29597 1/20 0.49
AXL P30530 1/20 0.49
FRK P42685 1/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL13648440 0.93 RAF1 (0.55) RAF1KDRRETPLK4AURKA
SCHEMBL13648298 0.92 RAF1 (0.68) RAF1KDRRETPLK4AURKA
SCHEMBL13648318 0.92 RAF1 (0.55) RAF1KDRRETPLK4AURKA
SCHEMBL13648464 0.90 RAF1 (0.63) RAF1KDRRETPLK4AURKA
SCHEMBL13648294 0.85 KDR (0.62) RAF1KDRRETPLK4AURKA
SCHEMBL13648050 0.85 KDR (0.69) RAF1KDRRETPLK4AURKA
SCHEMBL13648045 0.85 RAF1 (0.52) RAF1KDRRETPLK4AURKA
SCHEMBL13648043 0.83 KDR (0.51) RAF1KDRRETPLK4AURKA
SCHEMBL13648041 0.83 RAF1 (0.50) RAF1KDRRETPLK4AURKA
SCHEMBL5566298 0.82 RAF1 (0.84) RAF1KDRRETPLK4AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed

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-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 RAF1 125/4885KDR 658/4885RET 117/4885

“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.