SCHEMBL3540218

SCHEMBL3540218

CC(C)(C)c1cccc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.46
RAF1 P04049 5/20 0.46
RAB9A P51151 1/20 0.41
ROCK2 O75116 1/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
PDGFRB P09619 2/20 0.40
KIT P10721 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.39
MAPK14 Q16539 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL3549779 0.94 RAF1 (0.46) BRAFRAF1RAB9AROCK2KDR
SCHEMBL3542358 0.94 BRAF (0.45) BRAFRAF1RAB9AROCK2LCK
SCHEMBL3546037 0.93 RAF1 (0.47) BRAFRAF1RAB9ALCKFYN
SCHEMBL3546511 0.92 RAF1 (0.47) BRAFRAF1RAB9AROCK2MAPT
SCHEMBL3542287 0.92 BRAF (0.50) BRAFRAF1LCKFYNKDR
SCHEMBL3542833 0.89 KDR (0.47) BRAFRAF1RAB9AFLT1KDR
SCHEMBL3549509 0.89 BRAF (0.46) BRAFRAF1RAB9AROCK2LMNA
SCHEMBL3549351 0.87 BRAF (0.49) BRAFRAF1KDRLMNAMAPT
SCHEMBL3543796 0.87 RAF1 (0.44) BRAFRAF1RAB9AROCK2LMNA
SCHEMBL3548873 0.87 TRPV1 (0.46) BRAFRAF1RAB9AROCK2KIT

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 3 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-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.