SCHEMBL3546763

SCHEMBL3546763

O=C(/C=C/c1cccc(Oc2ccnc(NCCN3CCOCC3)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.52
BRAF P15056 5/20 0.48
MAPK14 Q16539 2/20 0.48
RET P07949 2/20 0.44
PYGL P06737 2/20 0.43
KDR P35968 1/20 0.42

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
SCHEMBL3546765 1.00 RAF1 (0.52) RAF1BRAFMAPK14RETPYGL
SCHEMBL3546492 0.85 RAF1 (0.51) RAF1BRAFMAPK14RETKDR
SCHEMBL3546498 0.85 RAF1 (0.51) RAF1BRAFMAPK14RETKDR
SCHEMBL3546030 0.85 ITGB2 (0.44) RAF1BRAFPYGLKDR
SCHEMBL3546025 0.85 ITGB2 (0.44) RAF1BRAFPYGLKDR
SCHEMBL3549408 0.85 KDR (0.46) RAF1BRAFMAPK14RETKDR
SCHEMBL3549413 0.85 KDR (0.46) RAF1BRAFMAPK14RETKDR
SCHEMBL3551136 0.85 RAF1 (0.64) RAF1BRAFMAPK14RETPYGL
SCHEMBL3543464 0.84 KDR (0.45) RAF1BRAFMAPK14RETKDR
SCHEMBL3543475 0.84 KDR (0.45) RAF1BRAFMAPK14RETKDR

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 794/4885MAPK14 94/4885

“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.