SCHEMBL171253

SCHEMBL171253

CCOC(=O)c1ccc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NAMPT P43490 6/20 0.59
GAA P10253 1/20 0.59
RAF1 P04049 6/20 0.59
EPHX2 P34913 3/20 0.59
KDR P35968 5/20 0.56
MAPK14 Q16539 4/20 0.56
MAPT P10636 1/20 0.56
PLK4 O00444 2/20 0.54
AURKA O14965 2/20 0.54
MAPK13 O15264 2/20 0.54
MAP4K4 O95819 2/20 0.54
ABL1 P00519 2/20 0.54
LCK P06239 2/20 0.54
FYN P06241 2/20 0.54
LYN P07948 2/20 0.54
RET P07949 2/20 0.54
SRC P12931 2/20 0.54

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
SCHEMBL13603477 0.91 RAF1 (0.54) KMT2AMEN1L3MBTL1NAMPTGAA
SCHEMBL170947 0.90 NAMPT (0.63) KMT2AMEN1L3MBTL1NAMPTGAA
SCHEMBL13603519 0.89 RAF1 (0.53) KMT2AMEN1L3MBTL1NAMPTGAA
SCHEMBL23747741 0.87 RAF1 (0.62) KMT2AMEN1NAMPTRAF1EPHX2
SCHEMBL5427870 0.86 KDR (0.59) KMT2AMEN1RAF1EPHX2KDR
SCHEMBL15574712 0.86 RAF1 (0.64) KMT2AMEN1RAF1EPHX2KDR
SCHEMBL13603487 0.86 RAF1 (0.60) KMT2AMEN1NAMPTRAF1EPHX2
SCHEMBL13603809 0.86 KDR (0.61) KMT2AMEN1RAF1EPHX2KDR
SCHEMBL17000003 0.85 POLB (0.58) KMT2AMEN1RAF1EPHX2KDR
SCHEMBL13611268 0.84 MAPK14 (0.59) KMT2AMEN1RAF1EPHX2KDR

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 7 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-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
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP 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 KMT2A 996/4885MEN1 549/4885L3MBTL1 3485/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 KMT2A 996/4885MEN1 549/4885L3MBTL1 3485/4885

“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.