SCHEMBL3546748

SCHEMBL3546748

CC(=O)Nc1cc(Oc2cccc(CCC(=O)Nc3cc(OCCN(C)C)cc(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.47
RAF1 P04049 3/20 0.47
KDR P35968 8/20 0.41
DDR2 Q16832 1/20 0.40
RIPK2 O43353 1/20 0.40
NR2E1 Q9Y466 1/20 0.40
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL13547773 0.88 BRAF (0.42) BRAFRAF1KDRDDR2LCK
SCHEMBL3547194 0.86 BRAF (0.44) BRAFRAF1KDRNR2E1
SCHEMBL3541816 0.84 BRAF (0.53) BRAFRAF1KDRRIPK2NR2E1
SCHEMBL3541968 0.80 BRAF (0.58) BRAFRAF1KDRPDGFRBKIT
SCHEMBL3546537 0.79 BRAF (0.57) BRAFRAF1KDRLCKFYN
SCHEMBL3553220 0.78 BRAF (0.75) BRAFRAF1KDR
SCHEMBL3545703 0.78 BRAF (0.61) BRAFRAF1KDRPDGFRBKIT
SCHEMBL3552261 0.76 BRAF (0.44) BRAFRAF1KDRNR2E1
SCHEMBL3545462 0.75 BRAF (0.47) BRAFRAF1KDRNR2E1
SCHEMBL13547815 0.75 BRAF (0.48) BRAFRAF1KDRNR2E1LCK

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 BRAF 794/4885RAF1 693/4885KDR 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.