SCHEMBL13603585

SCHEMBL13603585

CNCCNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.71
KDR P35968 5/20 0.69
PDGFRB P09619 4/20 0.69
BRAF P15056 4/20 0.69
RET P07949 3/20 0.69
GSK3B P49841 2/20 0.69
ARAF P10398 2/20 0.69
RIPK2 O43353 2/20 0.69
ABCB11 O95342 2/20 0.69
ABL1 P00519 2/20 0.69
HTR1A P08908 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
KIT P10721 2/20 0.69
FGFR1 P11362 2/20 0.69
PDGFRA P16234 2/20 0.69
FLT1 P17948 2/20 0.69
MAOA P21397 2/20 0.69
EPHA1 P21709 2/20 0.69
TBXA2R P21731 2/20 0.69
EPHA2 P29317 2/20 0.69

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
SCHEMBL22001800 0.93 RAF1 (0.82) RAF1KDRPDGFRBBRAFRET
SCHEMBL13603514 0.92 RAF1 (0.71) RAF1KDRPDGFRBBRAFRET
SCHEMBL169157 0.91 RAF1 (0.69) RAF1KDRPDGFRBBRAFRET
SCHEMBL13603523 0.91 RAF1 (0.69) RAF1KDRPDGFRBBRAFRET
SCHEMBL13603517 0.89 RAF1 (0.70) RAF1KDRPDGFRBBRAFRET
SCHEMBL13603510 0.88 RAF1 (0.68) RAF1KDRPDGFRBBRAFRET
SCHEMBL13603512 0.87 RAF1 (0.68) RAF1KDRPDGFRBBRAFRET
SCHEMBL171199 0.87 RAF1 (0.81) RAF1KDRPDGFRBBRAFRET
SCHEMBL22001803 0.86 RAF1 (0.82) RAF1KDRPDGFRBBRAFRET
SCHEMBL26923233 0.85 RAF1 (0.78) RAF1KDRPDGFRBBRAFRET

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 2/4885KDR 1819/4885PDGFRB 3673/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAF1 2/4885KDR 1819/4885PDGFRB 3673/4885

“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.