SCHEMBL3549779

SCHEMBL3549779

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.46
BRAF P15056 3/20 0.46
RAB9A P51151 1/20 0.41
ROCK2 O75116 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
UBE2N P61088 1/20 0.38
PAX8 Q06710 1/20 0.38
ACHE P22303 1/20 0.38
RET P07949 1/20 0.37
GAA P10253 2/20 0.37
MTNR1B P49286 1/20 0.37
ALOX15 P16050 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL3540218 0.94 BRAF (0.46) RAF1BRAFRAB9AROCK2MAPT
SCHEMBL3542287 0.91 BRAF (0.50) RAF1BRAFMAPTLMNAHTT
SCHEMBL3542358 0.90 BRAF (0.45) RAF1BRAFRAB9AROCK2MAPT
SCHEMBL3546511 0.88 RAF1 (0.47) RAF1BRAFRAB9AROCK2MAPT
SCHEMBL3549509 0.88 BRAF (0.46) RAF1BRAFRAB9AROCK2MAPT
SCHEMBL3542833 0.88 KDR (0.47) RAF1BRAFRAB9AMAPTALDH1A1
SCHEMBL3546037 0.88 RAF1 (0.47) RAF1BRAFRAB9ALMNAALDH1A1
SCHEMBL3549351 0.87 BRAF (0.49) RAF1BRAFMAPTLMNAHTT
SCHEMBL3543796 0.86 RAF1 (0.44) RAF1BRAFRAB9AROCK2MAPT
SCHEMBL3544814 0.86 RAB9A (0.48) RAF1BRAFRAB9AROCK2PARP1

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 794/4885RAB9A 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.