SCHEMBL3549266

SCHEMBL3549266

COC(=O)CCNC(=O)c1cc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.80
BRAF P15056 5/20 0.80
HDAC3 O15379 5/20 0.62
HDAC4 P56524 5/20 0.62
HDAC1 Q13547 5/20 0.62
HDAC7 Q8WUI4 5/20 0.62
HDAC2 Q92769 5/20 0.62
HDAC10 Q969S8 5/20 0.62
HDAC11 Q96DB2 5/20 0.62
HDAC8 Q9BY41 5/20 0.62
HDAC6 Q9UBN7 5/20 0.62
HDAC9 Q9UKV0 5/20 0.62
HDAC5 Q9UQL6 5/20 0.62
RET P07949 3/20 0.59
GSK3B P49841 2/20 0.58
PDGFRB P09619 4/20 0.57
KDR P35968 4/20 0.57
ARAF P10398 2/20 0.57
RIPK2 O43353 2/20 0.54
ABCB11 O95342 2/20 0.54

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
SCHEMBL13547700 0.94 RAF1 (0.82) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3544182 0.92 RAF1 (0.80) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3546421 0.90 RAF1 (0.79) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3551019 0.90 RAF1 (0.78) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3549561 0.89 RAF1 (0.78) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3551902 0.89 RAF1 (0.75) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3545281 0.89 RAF1 (1.00) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3541985 0.88 RAF1 (0.81) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL13547771 0.87 RAF1 (0.82) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3540164 0.86 RAF1 (0.83) RAF1BRAFHDAC3HDAC4HDAC1

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 794/4885HDAC3 556/4885

“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.