SCHEMBL3545010

SCHEMBL3545010

NCc1cc(Oc2ccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.73
BRAF P15056 2/20 0.73
HDAC3 O15379 15/20 0.61
HDAC4 P56524 15/20 0.61
HDAC1 Q13547 15/20 0.61
HDAC7 Q8WUI4 15/20 0.61
HDAC2 Q92769 15/20 0.61
HDAC10 Q969S8 15/20 0.61
HDAC11 Q96DB2 15/20 0.61
HDAC8 Q9BY41 15/20 0.61
HDAC6 Q9UBN7 15/20 0.61
HDAC9 Q9UKV0 15/20 0.61
HDAC5 Q9UQL6 15/20 0.61
PDGFRB P09619 2/20 0.59
KDR P35968 4/20 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
SCHEMBL3549024 0.91 RAF1 (0.73) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3547019 0.90 RAF1 (0.76) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3545071 0.89 RAF1 (0.70) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3539204 0.88 RAF1 (0.81) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL4340280 0.87 RAF1 (0.74) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3539364 0.87 RAF1 (0.74) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3542976 0.86 RAF1 (0.82) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3546533 0.86 RAF1 (0.79) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3545141 0.86 RAF1 (0.68) RAF1BRAFHDAC3HDAC4HDAC1
SCHEMBL3541826 0.86 KDR (0.75) 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.