SCHEMBL4485643

SCHEMBL4485643

O=c1c(Br)c(OCc2ccc(Cl)cc2)ccn1Cc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.73
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
EGLN1 Q9GZT9 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4478817 0.92 MAPK14 (0.82) MAPK14POLBLMNATP53MAPT
SCHEMBL4469536 0.90 MAPK14 (0.87) MAPK14POLBLMNAEGLN1NPSR1
SCHEMBL4468370 0.90 MAPK14 (0.87) MAPK14POLBLMNAEGLN1NPSR1
SCHEMBL4477450 0.90 MAPK14 (0.88) MAPK14POLBLMNATP53MAPT
SCHEMBL4386801 0.88 MAPK14 (0.78) MAPK14POLBLMNATP53MAPT
SCHEMBL13635874 0.88 MAPK14 (0.63) MAPK14POLBLMNATP53MAPT
SCHEMBL4466494 0.84 MAPK14 (1.00) MAPK14MAPTEGLN1NPSR1SMN1; SMN2
SCHEMBL4470415 0.84 MAPK14 (1.00) MAPK14NPSR1SMN1; SMN2ALDH1A1
SCHEMBL4489478 0.82 MAPK14 (0.74) MAPK14POLBLMNATP53MAPT
SCHEMBL4380209 0.82 MAPK14 (0.85) MAPK14NPSR1SMN1; 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 13 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-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-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 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
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 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 (5 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 1610/4885LMNA 1815/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 MAPK14 3409/4885POLB 3586/4885LMNA 3719/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885POLB 2922/4885LMNA 3852/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885POLB 1676/4885LMNA 1884/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885POLB 2127/4885LMNA 2222/4885

“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.