SCHEMBL3543252

SCHEMBL3543252

CCc1ccc(NC(=O)C=Cc2cccc(Oc3ccnc(NC(C)=O)c3)c2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDR P35968 3/20 0.43
BRAF P15056 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CDK8 P49336 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
RAF1 P04049 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL3543248 1.00 THRB (0.48) THRBL3MBTL1ABL1BCRMKNK1
SCHEMBL3539016 0.93 THRB (0.46) THRBL3MBTL1ABL1BCRMKNK1
SCHEMBL3539011 0.93 THRB (0.46) THRBL3MBTL1ABL1BCRMKNK1
SCHEMBL3541470 0.90 KDR (0.56) KDRBRAF
SCHEMBL3541466 0.90 KDR (0.56) KDRBRAF
SCHEMBL3544443 0.89 BRAF (0.53) THRBL3MBTL1ABL1MKNK1MKNK2
SCHEMBL3544446 0.89 BRAF (0.53) THRBL3MBTL1ABL1MKNK1MKNK2
SCHEMBL3539373 0.84 KDR (0.54) KDRBRAF
SCHEMBL3539376 0.84 KDR (0.54) KDRBRAF
SCHEMBL13547799 0.81 RET (0.58) ABL1BCRMKNK1MKNK2KDR

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 THRB 3958/4885L3MBTL1 4601/4885ABL1 27/4885

“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.