SCHEMBL4473754

SCHEMBL4473754

O=c1c(Br)c(NCc2ccc(Cl)cc2F)ccn1Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.55
POLB P06746 3/20 0.48
THRB P10828 2/20 0.48
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
P2RX7 Q99572 2/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 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
SCHEMBL4376114 0.92 MAPK14 (0.64) MAPK14POLBTHRBALDH1A1KDM4E
SCHEMBL13635320 0.89 POLB (0.49) MAPK14POLBTHRBALDH1A1KDM4E
SCHEMBL4474073 0.85 MAPK14 (0.57) MAPK14POLBTHRBALDH1A1KDM4E
SCHEMBL4389631 0.83 ALDH1A1 (0.55) MAPK14POLBTHRBALDH1A1KDM4E
SCHEMBL3520420 0.82 MAPK14 (0.48) MAPK14POLBTHRBKDM4ELMNA
SCHEMBL4374297 0.82 MAPK14 (0.52) MAPK14POLBTHRBALDH1A1KDM4E
SCHEMBL4383133 0.78 MAPK14 (0.49) MAPK14POLBTHRBALDH1A1KDM4E
SCHEMBL28783619 0.77 ALDH1A1 (0.52) MAPK14POLBALDH1A1KDM4EL3MBTL1
SCHEMBL4466743 0.76 MAPK14 (0.60) MAPK14POLBTHRBALDH1A1KDM4E
SCHEMBL4478413 0.75 MAPK14 (0.56) MAPK14POLBTHRBALDH1A1KDM4E

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 7 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
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
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 41/4885POLB 1610/4885THRB 1532/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885POLB 1676/4885THRB 1529/4885

“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.