SCHEMBL3547747

SCHEMBL3547747

COc1ccc(Nc2nccc(Oc3cccc(C=CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
MET P08581 1/20 0.46
NAMPT P43490 1/20 0.46
RET P07949 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
BRAF P15056 2/20 0.45
MAPK14 Q16539 1/20 0.45
TNNI3K Q59H18 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 3/20 0.45
CCNC P24863 1/20 0.45

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
SCHEMBL3547742 1.00 KDR (0.49) KDRMAPTLMNAALDH1A1TP53
SCHEMBL3542325 0.91 KDR (0.47) KDRMAPTLMNAALDH1A1TP53
SCHEMBL3542320 0.91 KDR (0.47) KDRMAPTLMNAALDH1A1TP53
SCHEMBL3548737 0.88 KDR (0.49) KDRMAPTLMNAALDH1A1MET
SCHEMBL3548740 0.88 KDR (0.49) KDRMAPTLMNAALDH1A1MET
SCHEMBL3549413 0.84 KDR (0.46) KDRMAPTLMNAALDH1A1MET
SCHEMBL3549408 0.84 KDR (0.46) KDRMAPTLMNAALDH1A1MET
SCHEMBL3543464 0.83 KDR (0.45) KDRMAPTLMNAALDH1A1GAA
SCHEMBL3543475 0.83 KDR (0.45) KDRMAPTLMNAALDH1A1GAA
SCHEMBL3545330 0.83 KDR (0.49) KDRMAPTLMNAALDH1A1GAA

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 KDR 729/4885MAPT 3192/4885LMNA 1920/4885

“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.