SCHEMBL4468370

SCHEMBL4468370

O=c1c(Br)c(OCc2ccc(Cl)cc2)ccn1Cc1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.87
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 3/20 0.50
LMNA P02545 1/20 0.50
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 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
SCHEMBL4469536 1.00 MAPK14 (0.87) MAPK14NPSR1HTTLMNAVEGFA
SCHEMBL4477450 0.95 MAPK14 (0.88) MAPK14NPSR1HTTLMNAVEGFA
SCHEMBL4470415 0.93 MAPK14 (1.00) MAPK14NPSR1HTTALDH1A1MEN1
SCHEMBL4474779 0.91 MAPK14 (0.90) MAPK14NPSR1HTTALDH1A1MEN1
SCHEMBL4485643 0.90 MAPK14 (0.73) MAPK14NPSR1LMNAEGLN1ALDH1A1
SCHEMBL4470817 0.90 MAPK14 (0.87) MAPK14NPSR1HTTALDH1A1MEN1
SCHEMBL4480893 0.89 MAPK14 (0.69) MAPK14NPSR1ALDH1A1KDM4EHPGD
SCHEMBL4466494 0.89 MAPK14 (1.00) MAPK14NPSR1VEGFAEGLN1ALDH1A1
SCHEMBL4380209 0.89 MAPK14 (0.85) MAPK14NPSR1HTTALDH1A1MEN1
SCHEMBL4389618 0.89 MAPK14 (0.85) MAPK14NPSR1HTTLMNAALDH1A1

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 41/4885NPSR1 1778/4885HTT 4654/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885NPSR1 1086/4885HTT 4853/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885NPSR1 1276/4885HTT 4506/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885NPSR1 1422/4885HTT 4570/4885

“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.