SCHEMBL171283

SCHEMBL171283

CNC(=O)c1cc(Oc2cccc(CNC(=O)Nc3cc(C)c(Cl)cc3OCCN3CCOCC3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.52
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
RAF1 P04049 5/20 0.44
GSK3B P49841 1/20 0.44
MAPK14 Q16539 3/20 0.43
KDR P35968 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
BRAF P15056 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
RET P07949 1/20 0.40
POLB P06746 1/20 0.40
GSK3A P49840 1/20 0.39

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
SCHEMBL171252 0.94 DDR2 (0.54) DDR2ROCK2ROCK1RAF1GSK3B
SCHEMBL170869 0.93 DDR2 (0.53) DDR2RAF1GSK3BMAPK14KDR
SCHEMBL171245 0.92 DDR2 (0.52) DDR2ROCK2ROCK1RAF1GSK3B
SCHEMBL171223 0.92 DDR2 (0.63) DDR2ROCK2ROCK1RAF1GSK3B
SCHEMBL13603568 0.90 DDR2 (0.47) DDR2RAF1GSK3BMAPK14KDR
SCHEMBL13648330 0.88 GSK3B (0.45) DDR2RAF1GSK3BMAPK14KDR
SCHEMBL5569561 0.87 GSK3B (0.58) DDR2RAF1GSK3BMAPK14KDR
SCHEMBL171401 0.87 DDR2 (0.55) DDR2RAF1GSK3BMAPK14KDR
SCHEMBL171041 0.86 DDR2 (0.58) DDR2RAF1GSK3BMAPK14KDR
SCHEMBL13603581 0.86 DDR2 (0.58) DDR2ROCK2RAF1GSK3BMAPK14

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 DDR2 4558/4885ROCK2 997/4885ROCK1 626/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885ROCK2 997/4885ROCK1 626/4885

“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.