SCHEMBL3540272

SCHEMBL3540272

O=C(O)NC1CCCN(c2nccc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.54
BRAF P15056 3/20 0.54
CDK8 P49336 7/20 0.44
CCNC P24863 6/20 0.44
KDR P35968 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3550169 0.91 RAF1 (0.56) RAF1BRAFCDK8CCNCKDR
SCHEMBL3545192 0.89 RAF1 (0.62) RAF1BRAFCDK8KDRMAPT
SCHEMBL3537679 0.88 RAF1 (0.61) RAF1BRAFCDK8KDRMAPT
SCHEMBL3546626 0.87 RAF1 (0.53) RAF1BRAFCDK8CCNCKDR
SCHEMBL6098859 0.84 CDK8 (0.45) RAF1BRAFCDK8CCNCKDR
SCHEMBL6098842 0.84 CDK8 (0.45) RAF1BRAFCDK8CCNCKDR
SCHEMBL3547729 0.84 RAF1 (0.60) RAF1BRAFCDK8KDRMAPT
SCHEMBL3543186 0.81 BRAF (0.71) RAF1BRAFCDK8KDRMAPT
SCHEMBL3547071 0.79 RAF1 (0.68) RAF1BRAFCDK8CCNCKDR
SCHEMBL3550793 0.77 RAF1 (0.58) RAF1BRAFCDK8CCNCKDR

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 2 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 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.