SCHEMBL3542929

SCHEMBL3542929

O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.59
BRAF P15056 3/20 0.59
CDK8 P49336 2/20 0.43
HDAC1 Q13547 7/20 0.42
HDAC3 O15379 6/20 0.42
HDAC4 P56524 6/20 0.42
HDAC7 Q8WUI4 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC10 Q969S8 6/20 0.42
HDAC11 Q96DB2 6/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC9 Q9UKV0 6/20 0.42
HDAC5 Q9UQL6 6/20 0.42
KDR P35968 4/20 0.42
RET P07949 1/20 0.41
FLT1 P17948 1/20 0.40
PDGFRB P09619 1/20 0.39

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
SCHEMBL3542074 0.94 RAF1 (0.68) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3539632 0.90 BRAF (0.56) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3551282 0.90 RAF1 (0.51) RAF1BRAFCDK8
SCHEMBL3546258 0.89 RAF1 (0.66) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3542489 0.89 RAF1 (0.55) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3551966 0.89 RAF1 (0.57) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3546486 0.89 RAF1 (0.55) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3541738 0.89 RAF1 (0.55) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3541892 0.89 BRAF (0.55) RAF1BRAFCDK8HDAC1HDAC3
SCHEMBL3539399 0.88 RAF1 (0.56) RAF1BRAFCDK8HDAC1HDAC3

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 RAF1 693/4885BRAF 794/4885CDK8 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.