SCHEMBL3547729

SCHEMBL3547729

O=C(CCc1cccc(Oc2ccnc(N3CCOCC3)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.60
BRAF P15056 4/20 0.60
CDK8 P49336 2/20 0.48
MAPT P10636 3/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
KDR P35968 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK14 Q16539 1/20 0.45
GAA P10253 1/20 0.45
MTOR P42345 2/20 0.43
MAP2K7 O14733 1/20 0.43
PIK3CA P42336 1/20 0.43
MCHR1 Q99705 1/20 0.42
RET P07949 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
SCHEMBL3545192 0.93 RAF1 (0.62) RAF1BRAFCDK8MAPTKDR
SCHEMBL3537679 0.93 RAF1 (0.61) RAF1BRAFCDK8MAPTKDR
SCHEMBL3550169 0.87 RAF1 (0.56) RAF1BRAFCDK8MAPTKDR
SCHEMBL3543186 0.86 BRAF (0.71) RAF1BRAFCDK8MAPTKDR
SCHEMBL3540272 0.84 RAF1 (0.54) RAF1BRAFCDK8MAPTKDR
SCHEMBL3547071 0.84 RAF1 (0.68) RAF1BRAFCDK8MAPTKDR
SCHEMBL3546498 0.82 RAF1 (0.51) RAF1BRAFCDK8MAPTUSP2
SCHEMBL3546492 0.82 RAF1 (0.51) RAF1BRAFCDK8MAPTUSP2
SCHEMBL3546626 0.82 RAF1 (0.53) RAF1BRAFCDK8MAPTKDR
SCHEMBL3543188 0.82 RAF1 (0.70) RAF1BRAFCDK8MAPTUSP2

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 794/4885CDK8 501/4885

“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.