SCHEMBL4387538

SCHEMBL4387538

O=c1c(Br)c(OCc2ccccc2)ccn1Cc1ccc(F)nc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.73
SMN1; SMN2 Q16637 2/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4462584 0.86 MAPK14 (0.85) MAPK14SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4470415 0.85 MAPK14 (1.00) MAPK14SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL13602946 0.83 MAPK14 (0.72) MAPK14SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4474779 0.83 MAPK14 (0.90) MAPK14SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4474704 0.82 MAPK14 (0.71) MAPK14SMN1; SMN2
SCHEMBL4469536 0.82 MAPK14 (0.87) MAPK14SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4470817 0.82 MAPK14 (0.87) MAPK14SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL4468370 0.82 MAPK14 (0.87) MAPK14SMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL3522118 0.82 MAPK14 (0.47) MAPK14SMN1; SMN2CYP11B1CYP11B2ALDH1A1
SCHEMBL4467417 0.81 MAPK14 (0.89) MAPK14SMN1; SMN2ALDH1A1

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 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
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 (3 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 41/4885SMN1; SMN2 1433/4885CYP11B1 164/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885SMN1; SMN2 1419/4885CYP11B1 286/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885SMN1; SMN2 1990/4885CYP11B1 401/4885

“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.