SCHEMBL171245

SCHEMBL171245

CNC(=O)c1cc(Oc2cccc(CNC(=O)Nc3cc(C)c(Cl)cc3OCCN3CCNCC3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.52
GSK3B P49841 1/20 0.44
MAPK14 Q16539 2/20 0.43
RAF1 P04049 3/20 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
RET P07949 1/20 0.40
ROCK1 Q13464 2/20 0.39
KDR P35968 3/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM3 P20309 1/20 0.38
FGFR1 P11362 1/20 0.38
MMP13 P45452 1/20 0.37

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) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL169262 0.93 DDR2 (0.56) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL13603578 0.92 DDR2 (0.63) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL171283 0.92 DDR2 (0.52) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL15574254 0.90 DDR2 (0.56) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL13648370 0.88 GSK3B (0.45) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL5565553 0.87 GSK3B (0.58) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL171401 0.87 DDR2 (0.55) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL171041 0.86 DDR2 (0.58) DDR2GSK3BMAPK14RAF1HTR1A
SCHEMBL13603581 0.86 DDR2 (0.58) DDR2GSK3BMAPK14RAF1HTR1A

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 4558/4885GSK3B 1104/4885MAPK14 120/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885GSK3B 1104/4885MAPK14 120/4885

“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.