SCHEMBL3553139

SCHEMBL3553139

O=C(CCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1cccc(C(F)(F)F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.47
RAF1 P04049 3/20 0.47
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
RIPK1 Q13546 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
CDK8 P49336 1/20 0.37
EPHX2 P34913 2/20 0.37
KIT P10721 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK14 Q16539 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3549021 0.86 RIPK1 (0.48) BRAFRAF1RIPK1RIPK3
SCHEMBL3539632 0.86 BRAF (0.56) BRAFRAF1CDK8NR3C2
SCHEMBL3538990 0.86 RAF1 (0.52) BRAFRAF1GAAPOLBRIPK1
SCHEMBL3549351 0.84 BRAF (0.49) BRAFRAF1RIPK1RIPK3LMNA
SCHEMBL3548166 0.84 BRAF (0.51) BRAFRAF1MAPK14LMNA
SCHEMBL3544486 0.84 RAF1 (0.49) BRAFRAF1GAACYP1A2CYP3A4
SCHEMBL3543614 0.84 BRAF (0.44) BRAFRAF1POLBCYP1A2CYP2C19
SCHEMBL3542929 0.84 RAF1 (0.59) BRAFRAF1CDK8
SCHEMBL3542489 0.84 RAF1 (0.55) BRAFRAF1CDK8MAPK14
SCHEMBL3546486 0.84 RAF1 (0.55) BRAFRAF1CDK8KIT

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 693/4885GAA 844/4885

“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.