SCHEMBL3545477

SCHEMBL3545477

Cc1cc(NC(=O)CCc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)cnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.45
BRAF P15056 2/20 0.45
ROCK2 O75116 1/20 0.39
RAB9A P51151 1/20 0.38
KDR P35968 8/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.36
FSHR P23945 1/20 0.36
GSK3B P49841 1/20 0.35
MAPK14 Q16539 1/20 0.35
CDK8 P49336 3/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL3547142 0.89 RAF1 (0.53) RAF1BRAFROCK2RAB9AKDR
SCHEMBL3545235 0.87 RAF1 (0.49) RAF1BRAFROCK2
SCHEMBL3549013 0.87 RAF1 (0.47) RAF1BRAFROCK2RAB9AKDR
SCHEMBL3548623 0.86 RAF1 (0.48) RAF1BRAFROCK2RAB9APARP1
SCHEMBL3542833 0.86 KDR (0.47) RAF1BRAFRAB9AKDRFLT1
SCHEMBL3544814 0.86 RAB9A (0.48) RAF1BRAFROCK2RAB9APARP1
SCHEMBL3549509 0.84 BRAF (0.46) RAF1BRAFROCK2RAB9APARP1
SCHEMBL3545140 0.83 SMN1; SMN2 (0.49) RAF1BRAFRAB9ATSHRGSK3B
SCHEMBL3551282 0.83 RAF1 (0.51) RAF1BRAFROCK2TSHRCDK8
SCHEMBL3546511 0.83 RAF1 (0.47) RAF1BRAFROCK2RAB9ACDK8

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 794/4885ROCK2 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.