SCHEMBL3546122

SCHEMBL3546122

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 1.00
BRAF P15056 9/20 1.00
KDR P35968 5/20 0.76
RET P07949 3/20 0.76
RIPK2 O43353 2/20 0.76
ABCB11 O95342 2/20 0.76
ABL1 P00519 2/20 0.76
HTR1A P08908 2/20 0.76
PDGFRB P09619 2/20 0.76
ADORA3 P0DMS8 2/20 0.76
KIT P10721 2/20 0.76
FGFR1 P11362 2/20 0.76
PDGFRA P16234 2/20 0.76
FLT1 P17948 2/20 0.76
MAOA P21397 2/20 0.76
EPHA1 P21709 2/20 0.76
TBXA2R P21731 2/20 0.76
EPHA2 P29317 2/20 0.76
TTK P33981 2/20 0.76
EPHX2 P34913 2/20 0.76

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
SCHEMBL3545392 0.95 RAF1 (0.90) RAF1BRAFKDRRETRIPK2
SCHEMBL3545281 0.92 RAF1 (1.00) RAF1BRAFKDRRETRIPK2
SCHEMBL3776565 0.91 RAF1 (0.84) RAF1BRAFKDRRETRIPK2
SCHEMBL3539374 0.91 RAF1 (0.83) RAF1BRAFKDRRETRIPK2
SCHEMBL3542976 0.90 RAF1 (0.82) RAF1BRAFKDRRETRIPK2
SCHEMBL5635314 0.90 RAF1 (0.86) RAF1BRAFKDRRETRIPK2
SCHEMBL3549790 0.90 RAF1 (0.81) RAF1BRAFKDRRETRIPK2
SCHEMBL3544115 0.90 RAF1 (0.81) RAF1BRAFKDRRETRIPK2
SCHEMBL3782348 0.90 RAF1 (0.81) RAF1BRAFKDRRETRIPK2
SCHEMBL3539204 0.90 RAF1 (0.81) RAF1BRAFKDRRETRIPK2

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-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-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-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
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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 RAF1 693/4885BRAF 794/4885KDR 729/4885

“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.