SCHEMBL13603453

SCHEMBL13603453

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3ccc(F)c(C#N)c3)cc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.54
EPHX2 P34913 4/20 0.54
KDR P35968 6/20 0.52
MAPK14 Q16539 5/20 0.52
ABL1 P00519 3/20 0.52
RET P07949 3/20 0.52
EPHA2 P29317 3/20 0.52
MAP3K20 Q9NYL2 3/20 0.52
HIPK4 Q8NE63 3/20 0.52
SRC P12931 3/20 0.52
PLK4 O00444 2/20 0.52
AURKA O14965 2/20 0.52
MAPK13 O15264 2/20 0.52
MAP4K4 O95819 2/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
LYN P07948 2/20 0.52
RPS6KB1 P23443 2/20 0.52
AXL P30530 2/20 0.52
FRK P42685 2/20 0.52

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
SCHEMBL15574712 0.85 RAF1 (0.64) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL171273 0.83 KDR (0.61) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL23747741 0.82 RAF1 (0.62) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL13603498 0.82 MAPK14 (0.56) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL13603499 0.82 DDR2 (0.52) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL15574494 0.82 RAF1 (0.64) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL15574727 0.82 MAPK14 (0.58) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL13603809 0.81 KDR (0.61) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL13603487 0.81 RAF1 (0.60) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL171244 0.81 MAPK14 (0.58) RAF1EPHX2KDRMAPK14ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 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 (2 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 RAF1 2/4885EPHX2 2163/4885KDR 1819/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAF1 2/4885EPHX2 2163/4885KDR 1819/4885

“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.