SCHEMBL3544375

SCHEMBL3544375

O=C(/C=C/c1cccc(Oc2ccnc(C3=NCCN3)c2)c1)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP1 P03956 5/20 0.52
MMP2 P08253 5/20 0.52
MMP9 P14780 5/20 0.52
SMPD3 Q9NY59 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
EGFR P00533 2/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL3544380 1.00 BLM (0.53) BLMTDP1MMP1MMP2MMP9
SCHEMBL3549255 0.92 MAOB (0.53) BLMTDP1MMP1MMP2MMP9
SCHEMBL3549251 0.92 MAOB (0.53) BLMTDP1MMP1MMP2MMP9
SCHEMBL3553133 0.87 KDR (0.49) BLMTDP1MEN1KMT2AEGFR
SCHEMBL3553130 0.87 KDR (0.49) BLMTDP1MEN1KMT2AEGFR
SCHEMBL3550586 0.87 BLM (0.47) BLMTDP1MMP1MMP2MMP9
SCHEMBL3550589 0.87 BLM (0.47) BLMTDP1MMP1MMP2MMP9
SCHEMBL3545338 0.85 BLM (0.46) BLMTDP1MMP1MMP2MMP9
SCHEMBL3545342 0.85 BLM (0.46) BLMTDP1MMP1MMP2MMP9
SCHEMBL3544963 0.84 TRPV1 (0.48) BLMTDP1MMP1MMP2MMP9

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 BLM 4800/4885TDP1 2815/4885MMP1 2962/4885

“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.