SCHEMBL3545462

SCHEMBL3545462

COc1cc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.47
RAF1 P04049 4/20 0.47
RAB9A P51151 2/20 0.42
NR2E1 Q9Y466 1/20 0.41
PARP1 P09874 2/20 0.41
ROCK2 O75116 1/20 0.41
GSK3B P49841 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1B P49286 1/20 0.38
POLB P06746 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL3549351 0.94 BRAF (0.49) BRAFRAF1NR2E1MAPTLMNA
SCHEMBL3544814 0.92 RAB9A (0.48) BRAFRAF1RAB9APARP1ROCK2
SCHEMBL3546093 0.91 BRAF (0.46) BRAFRAF1NR2E1GSK3BMAPK14
SCHEMBL13547787 0.91 BRAF (0.46) BRAFRAF1NR2E1MAPTLMNA
SCHEMBL3552885 0.91 BRAF (0.46) BRAFRAF1NR2E1MAPTLMNA
SCHEMBL3547194 0.90 BRAF (0.44) BRAFRAF1NR2E1MAPTLMNA
SCHEMBL3545699 0.90 BRAF (0.46) BRAFRAF1NR2E1MAPTLMNA
SCHEMBL3542287 0.90 BRAF (0.50) BRAFRAF1MAPK14MAPTGAA
SCHEMBL13547793 0.89 BRAF (0.48) BRAFRAF1NR2E1MAPTLMNA
SCHEMBL3545940 0.89 BRAF (0.46) BRAFRAF1NR2E1MAPTLMNA

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 693/4885RAB9A 4028/4885

“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.