SCHEMBL3547087

SCHEMBL3547087

O=C(C=Cc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAF1 P04049 8/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL3547083 1.00 MMP1 (0.38) MMP1MMP2MMP9ITGB3ITGAV
SCHEMBL3544971 0.90 ALDH1A1 (0.40) ITGB3ITGAVITGA2BBLMTDP1
SCHEMBL3544967 0.90 ALDH1A1 (0.40) ITGB3ITGAVITGA2BBLMTDP1
SCHEMBL3544965 0.86 MMP1 (0.40) MMP1MMP2MMP9ITGB3ITGAV
SCHEMBL3544961 0.86 MMP1 (0.40) MMP1MMP2MMP9ITGB3ITGAV
SCHEMBL3553133 0.85 KDR (0.49) BLMTDP1RAF1MEN1KMT2A
SCHEMBL3553130 0.85 KDR (0.49) BLMTDP1RAF1MEN1KMT2A
SCHEMBL3548110 0.82 RAF1 (0.48) RAF1MEN1KMT2AKDRSMN1; SMN2
SCHEMBL3544296 0.82 MEN1 (0.42) BLMTDP1RAF1MEN1KMT2A
SCHEMBL3544293 0.82 MEN1 (0.42) BLMTDP1RAF1MEN1KMT2A

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 MMP1 2962/4885MMP2 1919/4885MMP9 2438/4885

“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.