SCHEMBL3553733

SCHEMBL3553733

CC1CNC(c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)=N1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.66
RAF1 P04049 4/20 0.66
CDK8 P49336 3/20 0.48
RET P07949 1/20 0.48
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
KDR P35968 7/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
FLT1 P17948 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
SCHEMBL3546630 1.00 BRAF (0.66) BRAFRAF1CDK8RETHDAC3
SCHEMBL3540888 1.00 BRAF (0.66) BRAFRAF1CDK8RETHDAC3
SCHEMBL3551044 0.93 RAF1 (0.65) BRAFRAF1CDK8RETHDAC3
SCHEMBL13547699 0.92 BRAF (0.55) BRAFRAF1CDK8KDR
SCHEMBL3551558 0.91 BRAF (0.64) BRAFRAF1CDK8RETHDAC3
SCHEMBL3544598 0.91 RAF1 (0.63) BRAFRAF1CDK8RETHDAC3
SCHEMBL3546708 0.91 BRAF (0.63) BRAFRAF1CDK8RETHDAC3
SCHEMBL3550392 0.90 BRAF (0.67) BRAFRAF1CDK8RETHDAC3
SCHEMBL3543481 0.90 RAF1 (0.63) BRAFRAF1CDK8RETHDAC3
SCHEMBL3546999 0.89 RAF1 (0.62) BRAFRAF1CDK8RETHDAC3

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 5 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-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-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 BRAF 794/4885RAF1 693/4885CDK8 501/4885

“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.