SCHEMBL3544115

SCHEMBL3544115

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.81
BRAF P15056 4/20 0.81
KDR P35968 3/20 0.60
PDGFRB P09619 3/20 0.60
GSK3B P49841 2/20 0.60
ARAF P10398 2/20 0.60
RET P07949 2/20 0.60
MEN1 O00255 1/20 0.60
PLK4 O00444 1/20 0.60
CIT O14578 1/20 0.60
AURKA O14965 1/20 0.60
MUSK O15146 1/20 0.60
EPHB6 O15197 1/20 0.60
MAPK13 O15264 1/20 0.60
MLNR O43193 1/20 0.60
MAP3K7 O43318 1/20 0.60
RIPK2 O43353 1/20 0.60
DYRK3 O43781 1/20 0.60
PDE6D O43924 1/20 0.60
NR1I2 O75469 1/20 0.60

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
SCHEMBL3542817 0.92 RAF1 (0.77) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL13547771 0.92 RAF1 (0.82) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL3546533 0.91 RAF1 (0.79) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL3541062 0.91 RAF1 (0.77) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL3542976 0.90 RAF1 (0.82) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL3546122 0.90 RAF1 (1.00) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL3539204 0.90 RAF1 (0.81) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL3539364 0.85 RAF1 (0.74) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL13547685 0.85 RAF1 (0.74) RAF1BRAFKDRPDGFRBGSK3B
SCHEMBL3545392 0.85 RAF1 (0.90) RAF1BRAFKDRPDGFRBGSK3B

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 4 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 disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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.