SCHEMBL3548499

SCHEMBL3548499

Nc1cc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.66
RAF1 P04049 3/20 0.66
KDR P35968 6/20 0.53
CDK8 P49336 4/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
MAPK14 Q16539 1/20 0.50
TNNI3K Q59H18 1/20 0.50
MAP2K7 O14733 3/20 0.48
TRPV1 Q8NER1 1/20 0.48
MAPK3 P27361 1/20 0.47
RET P07949 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CCNC P24863 1/20 0.46

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
SCHEMBL3548059 0.88 RAF1 (0.76) BRAFRAF1KDRCDK8LMNA
SCHEMBL3547071 0.85 RAF1 (0.68) BRAFRAF1KDRCDK8LMNA
SCHEMBL3543186 0.84 BRAF (0.71) BRAFRAF1KDRCDK8LMNA
SCHEMBL3550375 0.83 RAF1 (0.69) BRAFRAF1CDK8LMNAMAPT
SCHEMBL3543312 0.82 BRAF (0.60) BRAFRAF1KDRCDK8LMNA
SCHEMBL3538094 0.82 RAF1 (0.60) BRAFRAF1KDRCDK8LMNA
SCHEMBL3549024 0.81 RAF1 (0.73) BRAFRAF1KDRCDK8LMNA
SCHEMBL3540164 0.80 RAF1 (0.83) BRAFRAF1KDRCDK8LMNA
SCHEMBL3545281 0.80 RAF1 (1.00) BRAFRAF1KDRCDK8FLT1
SCHEMBL3550217 0.80 RAF1 (0.79) BRAFRAF1KDRCDK8FLT1

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.