SCHEMBL3545124

SCHEMBL3545124

CC(C)(C)c1cccc(NC(=O)/C(=C/c2cccc(Oc3ccnc(C4=NCCN4)c3)c2)CO)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.41
BRAF P15056 15/20 0.39
LCK P06239 3/20 0.38
FYN P06241 3/20 0.38
PDGFRB P09619 3/20 0.38
KIT P10721 3/20 0.38
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
KDR P35968 3/20 0.38
SRC P12931 1/20 0.38
CYP3A4 P08684 1/20 0.37
UBE2N P61088 1/20 0.36
PAX8 Q06710 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3545129 1.00 RAF1 (0.41) RAF1BRAFLCKFYNPDGFRB
SCHEMBL3541618 0.90 RAF1 (0.38) RAF1BRAFLCKFYNPDGFRB
SCHEMBL3541615 0.90 RAF1 (0.38) RAF1BRAFLCKFYNPDGFRB
SCHEMBL3547758 0.90 RAF1 (0.42) RAF1BRAFLCKFYNPDGFRB
SCHEMBL3547764 0.90 RAF1 (0.42) RAF1BRAFLCKFYNPDGFRB
SCHEMBL3544963 0.84 TRPV1 (0.48) RAF1BRAFLMNA
SCHEMBL3544956 0.84 TRPV1 (0.48) RAF1BRAFLMNA
SCHEMBL13547816 0.81 RAF1 (0.46) RAF1BRAFLCKFYNPDGFRB
SCHEMBL3540218 0.81 BRAF (0.46) RAF1BRAFLCKFYNPDGFRB
SCHEMBL3543352 0.79 TRPV1 (0.45) RAF1BRAFLMNA

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 794/4885LCK 58/4885

“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.