SCHEMBL3544987

SCHEMBL3544987

CSc1cccc(NC(=O)C=Cc2cccc(Oc3ccnc(C4=NCCN4)c3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALPG P10696 1/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 5/20 0.42
MMP2 P08253 5/20 0.42
MMP9 P14780 5/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL3544981 1.00 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3550586 0.87 BLM (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3549251 0.87 MAOB (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3550589 0.87 BLM (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3549255 0.87 MAOB (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3544956 0.87 TRPV1 (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3540479 0.87 TRPV1 (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3540485 0.87 TRPV1 (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3544963 0.87 TRPV1 (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3544539 0.85 LMNA (0.56) MAPTMEN1KMT2AALDH1A1LMNA

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
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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 MAPT 3192/4885MEN1 2134/4885KMT2A 1439/4885

“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.