SCHEMBL3551325

SCHEMBL3551325

CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3ccccc3)cc2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.68
RAF1 P04049 7/20 0.68
KDR P35968 6/20 0.56
MAPK14 Q16539 3/20 0.56
PLK4 O00444 1/20 0.56
AURKA O14965 1/20 0.56
MAPK13 O15264 1/20 0.56
JAK2 O60674 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
LYN P07948 1/20 0.56
RET P07949 1/20 0.56
ROS1 P08922 1/20 0.56
SRC P12931 1/20 0.56
RPS6KB1 P23443 1/20 0.56
EPHA2 P29317 1/20 0.56
TYK2 P29597 1/20 0.56
AXL P30530 1/20 0.56

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
SCHEMBL3550115 0.91 BRAF (0.70) BRAFRAF1KDRMAPK14PLK4
SCHEMBL3549837 0.90 RAF1 (0.67) BRAFRAF1KDRMAPK14PLK4
SCHEMBL3545160 0.90 RAF1 (0.74) BRAFRAF1KDRMAPK14PLK4
SCHEMBL3546107 0.88 RAF1 (0.66) BRAFRAF1KDRMAPK14PLK4
SCHEMBL3546187 0.87 RAF1 (0.76) BRAFRAF1KDRMAPK14PLK4
SCHEMBL3543200 0.87 KDR (0.74) BRAFRAF1KDRMAPK14PLK4
SCHEMBL3543031 0.86 BRAF (0.60) BRAFRAF1KDRMAPK14EPHX2
SCHEMBL3550254 0.85 BRAF (0.59) BRAFRAF1KDRMAPK14EPHX2
SCHEMBL3549145 0.84 RAF1 (0.75) BRAFRAF1KDRMAPK14PLK4
SCHEMBL3547173 0.84 RAF1 (0.70) BRAFRAF1KDRMAPK14PLK4

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 BRAF 794/4885RAF1 693/4885KDR 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.