SCHEMBL3551571

SCHEMBL3551571

O=C(/C=C/c1ccc(Cc2ccncc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
NAMPT P43490 2/20 0.54
FLT1 P17948 7/20 0.52
BLM P54132 1/20 0.49
GRM4 Q14833 1/20 0.47
MAOB P27338 2/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 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
SCHEMBL3551573 1.00 KDR (0.62) KDRHDAC6HDAC1HDAC8NAMPT
SCHEMBL16628086 0.83 KDR (0.68) KDRHDAC6HDAC1HDAC8FLT1
SCHEMBL6030809 0.83 KDR (0.58) KDRFLT1BLMGRM4PDGFRB
SCHEMBL11796925 0.83 HDAC6 (0.74) KDRHDAC6HDAC1HDAC8NAMPT
SCHEMBL5635453 0.82 KDR (0.57) KDRFLT1BLMGRM4PDGFRB
SCHEMBL11803033 0.81 KDR (0.70) KDRHDAC6HDAC1HDAC8NAMPT
SCHEMBL3544690 0.80 RAF1 (0.61) KDRFLT1BLMMAPTTP53
SCHEMBL13675773 0.79 KDR (0.68) KDRHDAC6HDAC1HDAC8MAOB
SCHEMBL13547728 0.75 MAPT (0.67) KDRHDAC6HDAC1HDAC8MAPT
SCHEMBL3546322 0.75 MMP1 (0.66) KDRHDAC6HDAC1HDAC8NAMPT

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 6 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 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
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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 KDR 729/4885HDAC6 454/4885HDAC1 532/4885

“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.