SCHEMBL3541062

SCHEMBL3541062

N=C(NO)c1cc(Oc2ccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.77
BRAF P15056 4/20 0.77
KDR P35968 3/20 0.63
HDAC3 O15379 12/20 0.62
HDAC4 P56524 12/20 0.62
HDAC1 Q13547 12/20 0.62
HDAC7 Q8WUI4 12/20 0.62
HDAC2 Q92769 12/20 0.62
HDAC10 Q969S8 12/20 0.62
HDAC11 Q96DB2 12/20 0.62
HDAC8 Q9BY41 12/20 0.62
HDAC6 Q9UBN7 12/20 0.62
HDAC9 Q9UKV0 12/20 0.62
HDAC5 Q9UQL6 12/20 0.62
PDGFRB P09619 3/20 0.58
ARAF P10398 2/20 0.58
MEN1 O00255 1/20 0.57
PLK4 O00444 1/20 0.57
CIT O14578 1/20 0.57
AURKA O14965 1/20 0.57

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 0.91 RAF1 (0.77) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3544115 0.91 RAF1 (0.81) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3546533 0.91 RAF1 (0.79) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3542976 0.90 RAF1 (0.82) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3539204 0.89 RAF1 (0.81) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3546122 0.87 RAF1 (1.00) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3539364 0.85 RAF1 (0.74) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3546769 0.84 RAF1 (0.70) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3545010 0.83 RAF1 (0.73) RAF1BRAFKDRHDAC3HDAC4
SCHEMBL3541826 0.83 KDR (0.75) RAF1BRAFKDRHDAC3HDAC4

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.