SCHEMBL13603584

SCHEMBL13603584

CNCCOc1cc(Cl)c(C(F)(F)F)cc1NC(=O)NCc1cccc(Oc2ccnc(C(=O)NC)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.62
RAF1 P04049 13/20 0.56
BRAF P15056 6/20 0.56
RET P07949 4/20 0.55
DDR2 Q16832 4/20 0.51
KDR P35968 4/20 0.51
ABL1 P00519 3/20 0.51
EPHA2 P29317 3/20 0.51
MAPK14 Q16539 3/20 0.51
MAP3K20 Q9NYL2 3/20 0.51
AURKB Q96GD4 3/20 0.51
RIPK2 O43353 2/20 0.51
ABCB11 O95342 2/20 0.51
HTR1A P08908 2/20 0.51
PDGFRB P09619 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
KIT P10721 2/20 0.51
FGFR1 P11362 2/20 0.51
PDGFRA P16234 2/20 0.51
FLT1 P17948 2/20 0.51

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
SCHEMBL170909 0.93 GSK3B (0.68) GSK3BRAF1BRAFRETDDR2
SCHEMBL171377 0.90 DDR2 (0.65) GSK3BRAF1BRAFRETDDR2
SCHEMBL171041 0.89 DDR2 (0.58) GSK3BRAF1BRAFRETDDR2
SCHEMBL14453625 0.89 GSK3B (0.71) GSK3BRAF1BRAFRETDDR2
SCHEMBL169163 0.87 DDR2 (0.61) GSK3BRAF1BRAFRETDDR2
SCHEMBL15575221 0.87 GSK3B (0.66) GSK3BRAF1BRAFRETDDR2
SCHEMBL13648387 0.87 GSK3B (0.64) GSK3BRAF1BRAFRETDDR2
SCHEMBL15574249 0.86 GSK3B (0.60) GSK3BRAF1BRAFRETDDR2
SCHEMBL14453597 0.86 GSK3B (0.83) GSK3BRAF1BRAFRETDDR2
SCHEMBL171314 0.85 GSK3B (0.68) GSK3BRAF1BRAFRETDDR2

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 6 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
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 GSK3B 1104/4885RAF1 2/4885BRAF 1/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 GSK3B 1104/4885RAF1 2/4885BRAF 1/4885

“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.