SCHEMBL3544814

SCHEMBL3544814

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
MTNR1B P49286 4/20 0.45
ROCK2 O75116 1/20 0.45
POLB P06746 1/20 0.45
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
MTNR1A P48039 3/20 0.43
CDK8 P49336 1/20 0.43
NR3C2 P08235 1/20 0.43
PARP1 P09874 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1B P28222 1/20 0.40
GAA P10253 1/20 0.40
NISCH Q9Y2I1 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
SCHEMBL3545462 0.92 BRAF (0.47) RAB9AMTNR1BROCK2POLBRAF1
SCHEMBL3549013 0.89 RAF1 (0.47) RAB9AMTNR1BROCK2RAF1BRAF
SCHEMBL3542358 0.88 BRAF (0.45) RAB9AROCK2RAF1BRAFNR3C2
SCHEMBL3542833 0.88 KDR (0.47) RAB9APOLBRAF1BRAFMEN1
SCHEMBL3549509 0.88 BRAF (0.46) RAB9AMTNR1BROCK2RAF1BRAF
SCHEMBL3545235 0.87 RAF1 (0.49) ROCK2RAF1BRAF
SCHEMBL3549779 0.86 RAF1 (0.46) RAB9AMTNR1BROCK2RAF1BRAF
SCHEMBL3549351 0.86 BRAF (0.49) RAF1BRAFNR3C2
SCHEMBL3546511 0.86 RAF1 (0.47) RAB9AMTNR1BROCK2POLBRAF1
SCHEMBL3548873 0.86 TRPV1 (0.46) RAB9AMTNR1BROCK2RAF1BRAF

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 RAB9A 4028/4885MTNR1B 3963/4885ROCK2 504/4885

“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.