SCHEMBL3544296

SCHEMBL3544296

O=C(C=Cc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 5/20 0.41
BRAF P15056 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAF1 P04049 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL3544293 1.00 MEN1 (0.42) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3544546 0.91 LMNA (0.56) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3544539 0.91 LMNA (0.56) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL13547797 0.87 BLM (0.42) MEN1KMT2ALMNAMAPTBLM
SCHEMBL3547184 0.87 MAOB (0.46) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3547179 0.87 MAOB (0.46) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3541344 0.86 MEN1 (0.43) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3547537 0.86 MEN1 (0.43) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3541349 0.86 MEN1 (0.43) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL3547534 0.86 MEN1 (0.43) MEN1KMT2ALMNAHSP90AA1MAPT

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 MEN1 2134/4885KMT2A 1439/4885LMNA 1920/4885

“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.