SCHEMBL4378804

SCHEMBL4378804

O=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
PTGER3 P43115 1/20 0.49
TP53 P04637 2/20 0.48
HSD17B13 Q7Z5P4 1/20 0.46
P2RY14 Q15391 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 1/20 0.42
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
MET P08581 1/20 0.42
AXL P30530 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
SCHEMBL4467899 0.87 MAPT (0.54) MAPK14L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL4480210 0.87 MAPT (0.56) MAPK14L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL4385079 0.87 MAPK14 (0.51) MAPK14L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL4476536 0.84 MAPK14 (0.55) MAPK14L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL3526199 0.81 HSD17B13 (0.52) MAPK14L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL28783619 0.80 ALDH1A1 (0.52) MAPK14L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4466743 0.80 MAPK14 (0.60) MAPK14L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL4474073 0.79 MAPK14 (0.57) MAPK14L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4477737 0.79 MAPK14 (0.50) MAPK14L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL4389676 0.79 MEN1 (0.53) L3MBTL1ALDH1A1KDM4EMAPTMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885L3MBTL1 3937/4885ALDH1A1 787/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885L3MBTL1 3850/4885ALDH1A1 741/4885

“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.