SCHEMBL3546156

SCHEMBL3546156

CNC(=O)c1cc(Oc2cccc(CCC(=O)Nc3cc(C(C)(C)C)on3)c2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.64
KDR P35968 1/20 0.64
BRAF P15056 3/20 0.60
RET P07949 1/20 0.51
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
CSF1R P07333 2/20 0.44
FLT3 P36888 2/20 0.44
RIPK2 O43353 1/20 0.43

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
SCHEMBL3550019 0.91 RAF1 (0.71) RAF1KDRBRAFMAPK13MAPK12
SCHEMBL14422915 0.86 RAF1 (0.68) RAF1KDRBRAFRETMAPK13
SCHEMBL14422914 0.82 RAF1 (0.82) RAF1KDRBRAFRETMAPK13
SCHEMBL3550115 0.81 BRAF (0.70) RAF1KDRBRAFRETRAB9A
SCHEMBL3547173 0.79 RAF1 (0.70) RAF1KDRBRAFRETRAB9A
SCHEMBL3544270 0.79 RAF1 (0.70) RAF1KDRBRAFRETNPC1
SCHEMBL3551393 0.79 RAF1 (0.75) RAF1KDRBRAFRETMAPK13
SCHEMBL13547744 0.79 BRAF (0.61) RAF1KDRBRAFRETMAPK13
SCHEMBL15574401 0.79 RAF1 (0.77) RAF1KDRMAPK13MAPK12MAPK11
SCHEMBL3540580 0.78 BRAF (0.74) RAF1KDRBRAFRETRAB9A

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 3 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-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 693/4885KDR 729/4885BRAF 794/4885

“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.