SCHEMBL4489754

SCHEMBL4489754

O=c1c(Br)c(-c2cccc(C(F)(F)F)c2)ccn1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GRIN1 Q05586 3/20 0.48
GRIN2B Q13224 3/20 0.48
ATM Q13315 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
ICMT O60725 1/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PTGER3 P43115 1/20 0.40

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
SCHEMBL14547795 0.86 MAPK14 (0.58) MAPK14LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4490349 0.83 MAPK14 (0.64) MAPK14LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4485504 0.81 MAPK14 (0.53) MAPK14MAPTLMNATP53ALDH1A1
SCHEMBL4466645 0.81 MAPK14 (0.51) MAPK14ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4477668 0.81 MAPK14 (0.53) MAPK14ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL3523102 0.81 GRIN1 (0.51) MAPK14MAPTLMNATP53RXFP1
SCHEMBL4383133 0.80 MAPK14 (0.49) MAPK14MAPTLMNATP53RXFP1
SCHEMBL4476632 0.79 MAPK14 (0.53) MAPK14ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4468228 0.78 MAPT (0.54) MAPK14MAPTLMNATP53ALDH1A1
SCHEMBL4378463 0.77 MAPK14 (0.64) MAPK14ALDH1A1KDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 CN 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
CN-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 CN disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 CN disclosed
CN-100486576-C Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2009-05-13 CN 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
CN-1646125-A Substituted pyridones as modulators of P38MAP kinase PHARMACIA CORP (US) 2005-07-27 CN 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 (2 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 2803/4885LMNA 1815/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MAPT 2543/4885LMNA 1884/4885

“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.