SCHEMBL3544571

SCHEMBL3544571

CNC(=O)c1cc(Oc2cccc(C=CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.74
RAF1 P04049 15/20 0.68
BRAF P15056 11/20 0.68
KDR P35968 6/20 0.68
EPHX2 P34913 3/20 0.68
RIPK2 O43353 2/20 0.68
ABCB11 O95342 2/20 0.68
ABL1 P00519 2/20 0.68
HTR1A P08908 2/20 0.68
PDGFRB P09619 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
KIT P10721 2/20 0.68
FGFR1 P11362 2/20 0.68
PDGFRA P16234 2/20 0.68
FLT1 P17948 2/20 0.68
MAOA P21397 2/20 0.68
EPHA1 P21709 2/20 0.68
TBXA2R P21731 2/20 0.68
EPHA2 P29317 2/20 0.68
TTK P33981 2/20 0.68

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
SCHEMBL3544568 1.00 RET (0.74) RETRAF1BRAFKDREPHX2
SCHEMBL3546621 0.92 RET (0.62) RETRAF1BRAFKDREPHX2
SCHEMBL3546624 0.92 RET (0.62) RETRAF1BRAFKDREPHX2
SCHEMBL13547716 0.90 RET (0.59) RETRAF1BRAFKDREPHX2
SCHEMBL13547799 0.89 RET (0.58) RETRAF1BRAFKDREPHX2
SCHEMBL3541783 0.89 RAF1 (0.61) RETRAF1BRAFKDREPHX2
SCHEMBL3547076 0.89 RET (0.59) RETRAF1BRAFKDREPHX2
SCHEMBL3547080 0.89 RET (0.59) RETRAF1BRAFKDREPHX2
SCHEMBL3541788 0.89 RAF1 (0.61) RETRAF1BRAFKDREPHX2
SCHEMBL3549131 0.89 RET (0.58) RETRAF1BRAFKDREPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 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 (1 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 RET 252/4885RAF1 693/4885BRAF 794/4885

“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.