SCHEMBL3538127

SCHEMBL3538127

CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.67
BRAF P15056 13/20 0.67
KDR P35968 3/20 0.58
PLK4 O00444 2/20 0.58
AURKA O14965 2/20 0.58
MAPK13 O15264 2/20 0.58
MAP4K4 O95819 2/20 0.58
ABL1 P00519 2/20 0.58
LCK P06239 2/20 0.58
FYN P06241 2/20 0.58
LYN P07948 2/20 0.58
RET P07949 2/20 0.58
SRC P12931 2/20 0.58
RPS6KB1 P23443 2/20 0.58
EPHA2 P29317 2/20 0.58
AXL P30530 2/20 0.58
FRK P42685 2/20 0.58
MAPK9 P45984 2/20 0.58
BLK P51451 2/20 0.58
CAMK2B Q13554 2/20 0.58

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
SCHEMBL3546187 0.88 RAF1 (0.76) RAF1BRAFKDRPLK4AURKA
SCHEMBL3543200 0.87 KDR (0.74) RAF1BRAFKDRPLK4AURKA
SCHEMBL3538108 0.86 RAF1 (0.64) RAF1BRAFKDRPLK4AURKA
SCHEMBL15574645 0.85 KDR (0.58) RAF1BRAFKDRPLK4AURKA
SCHEMBL3547067 0.84 RAF1 (0.68) RAF1BRAFKDRPLK4AURKA
SCHEMBL3549145 0.83 RAF1 (0.75) RAF1BRAFKDRPLK4AURKA
SCHEMBL21124969 0.83 KDR (0.79) RAF1BRAFKDRPLK4AURKA
SCHEMBL3550254 0.82 BRAF (0.59) RAF1BRAFKDRMAPK14EPHX2
SCHEMBL3550019 0.81 RAF1 (0.71) RAF1BRAFKDRMAPK13MAPK14
SCHEMBL3551325 0.81 BRAF (0.68) RAF1BRAFKDRPLK4AURKA

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-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
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.