SCHEMBL3548623

SCHEMBL3548623

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
CDK8 P49336 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GRM5 P41594 2/20 0.44
RET P07949 1/20 0.44
MAPT P10636 2/20 0.40
ACHE P22303 1/20 0.40
ROCK2 O75116 1/20 0.40
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.39
CYP1A2 P05177 1/20 0.39
CSNK1D P48730 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
SCHEMBL3545235 0.92 RAF1 (0.49) RAF1BRAFGRM5ACHEROCK2
SCHEMBL3551282 0.90 RAF1 (0.51) RAF1BRAFCDK8KMT2AMEN1
SCHEMBL3543796 0.90 RAF1 (0.44) RAF1BRAFCDK8RAB9AKMT2A
SCHEMBL3549509 0.90 BRAF (0.46) RAF1BRAFRAB9AALDH1A1LMNA
SCHEMBL3548873 0.90 TRPV1 (0.46) RAF1BRAFRAB9AALDH1A1LMNA
SCHEMBL3542833 0.90 KDR (0.47) RAF1BRAFRAB9AKMT2AMEN1
SCHEMBL3547142 0.88 RAF1 (0.53) RAF1BRAFCDK8RAB9AKMT2A
SCHEMBL3543317 0.87 CDK8 (0.48) RAF1BRAFCDK8RAB9AALDH1A1
SCHEMBL3542287 0.87 BRAF (0.50) RAF1BRAFCDK8KMT2AMEN1
SCHEMBL3541474 0.87 BRAF (0.48) RAF1BRAFRAB9AKMT2AMEN1

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 794/4885CDK8 501/4885

“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.