SCHEMBL3553133

SCHEMBL3553133

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.49
RAF1 P04049 6/20 0.48
RET P07949 2/20 0.48
FLT1 P17948 2/20 0.47
BRAF P15056 4/20 0.46
CDK8 P49336 3/20 0.46
NAMPT P43490 1/20 0.45
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
AURKA O14965 1/20 0.44
MUSK O15146 1/20 0.44
EPHB6 O15197 1/20 0.44
MAPK13 O15264 1/20 0.44
MLNR O43193 1/20 0.44

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
SCHEMBL3553130 1.00 KDR (0.49) KDRRAF1RETFLT1BRAF
SCHEMBL3623322 0.95 KDR (0.48) KDRRAF1RETFLT1BRAF
SCHEMBL3623319 0.95 KDR (0.48) KDRRAF1RETFLT1BRAF
SCHEMBL3543897 0.91 CDK8 (0.51) KDRRAF1BRAFCDK8BLM
SCHEMBL3539800 0.91 RAF1 (0.45) KDRRAF1RETCDK8BLM
SCHEMBL3543898 0.91 CDK8 (0.51) KDRRAF1BRAFCDK8BLM
SCHEMBL3539796 0.91 RAF1 (0.45) KDRRAF1RETCDK8BLM
SCHEMBL13547798 0.90 BLM (0.44) KDRRAF1RETCDK8BLM
SCHEMBL3545514 0.89 NAMPT (0.46) KDRRAF1RETBRAFCDK8
SCHEMBL3545518 0.89 NAMPT (0.46) KDRRAF1RETBRAFCDK8

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 729/4885RAF1 693/4885RET 252/4885

“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.