SCHEMBL4466494

SCHEMBL4466494

O=c1c(Br)c(OCc2ccc(Cl)cc2)ccn1Cc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 1.00
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.46
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 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
SCHEMBL4478405 0.95 MAPK14 (0.90) MAPK14MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL4477450 0.94 MAPK14 (0.88) MAPK14MAPTTHRBVEGFAEGLN1
SCHEMBL4462584 0.90 MAPK14 (0.85) MAPK14MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL4468370 0.89 MAPK14 (0.87) MAPK14SMN1; SMN2VEGFAEGLN1NPSR1
SCHEMBL4469536 0.89 MAPK14 (0.87) MAPK14SMN1; SMN2VEGFAEGLN1NPSR1
SCHEMBL4478817 0.89 MAPK14 (0.82) MAPK14MAPTTHRBSMN1; SMN2EGLN1
SCHEMBL4473334 0.88 MAPK14 (0.78) MAPK14MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4490267 0.87 MAPK14 (0.77) MAPK14MAPTTHRBSMN1; SMN2
SCHEMBL4488916 0.87 MAPK14 (0.77) MAPK14MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL4467678 0.87 MAPK14 (0.77) MAPK14MAPTSMN1; SMN2ALDH1A1GAA

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 12 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
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-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
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 (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 41/4885MAPT 2803/4885THRB 1532/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885MAPT 3791/4885THRB 1948/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MAPT 2543/4885THRB 1529/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885MAPT 2469/4885THRB 1738/4885

“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.