SCHEMBL4474150

SCHEMBL4474150

O=c1c(Br)c(OCc2ccc(Cl)cc2)ccn1CCSc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.60
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.40
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL4480893 0.84 MAPK14 (0.69) MAPK14NPSR1MAPTGRM2KDM4E
SCHEMBL4468370 0.83 MAPK14 (0.87) MAPK14NPSR1KDM4EALDH1A1HPGD
SCHEMBL4469536 0.83 MAPK14 (0.87) MAPK14NPSR1KDM4EALDH1A1HPGD
SCHEMBL3524658 0.82 MAPT (0.49) MAPK14NPSR1MAPTKDM4EALDH1A1
SCHEMBL4477450 0.80 MAPK14 (0.88) MAPK14NPSR1MAPTKDM4EALDH1A1
SCHEMBL4470415 0.76 MAPK14 (1.00) MAPK14NPSR1GRM2ALDH1A1HPGD
SCHEMBL4466494 0.75 MAPK14 (1.00) MAPK14NPSR1MAPTALDH1A1HPGD
SCHEMBL4472620 0.74 MAPK14 (0.79) MAPK14NPSR1MAPTGRM2KDM4E
SCHEMBL4485643 0.74 MAPK14 (0.73) MAPK14NPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL4474779 0.74 MAPK14 (0.90) MAPK14NPSR1GRM2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US claimed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US claimed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US 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-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 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
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 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 (4 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 41/4885NPSR1 1778/4885MAPT 2803/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885NPSR1 1086/4885MAPT 3791/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885NPSR1 1276/4885MAPT 2543/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885NPSR1 1422/4885MAPT 2469/4885

“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.