SCHEMBL4380091

SCHEMBL4380091

O=c1cc(NCc2ccccc2)ccn1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK14 Q16539 3/20 0.46
DBH P09172 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARA Q07869 1/20 0.43
CLPP Q16740 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
MAOB P27338 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4376180 0.85 MAPK14 (0.51) ALDH1A1L3MBTL1KDM4EMAPK14DBH
SCHEMBL5447810 0.79 ADORA2A (0.52) ALDH1A1L3MBTL1KDM4EMAPK14DBH
SCHEMBL4480725 0.78 MAPK14 (0.46) ALDH1A1L3MBTL1KDM4EMAPK14DBH
SCHEMBL13635755 0.78 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EMAPK14DBH
SCHEMBL3526509 0.78 CDK9 (0.55) ALDH1A1L3MBTL1KDM4EMAPK14CLPP
SCHEMBL4389631 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4EMAPK14DBH
SCHEMBL4389676 0.76 MEN1 (0.53) ALDH1A1L3MBTL1KDM4EMAOB
SCHEMBL11015099 0.75 HPGD (0.63) ALDH1A1L3MBTL1FFAR1PPARAPOLB
SCHEMBL4377801 0.75 L3MBTL1 (0.49) ALDH1A1L3MBTL1KDM4EMAPK14DBH
SCHEMBL4378877 0.75 MAPK14 (0.49) ALDH1A1L3MBTL1KDM4EMAPK14DBH

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-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP 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 ALDH1A1 787/4885L3MBTL1 3937/4885KDM4E 3869/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 ALDH1A1 1030/4885L3MBTL1 3898/4885KDM4E 4408/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885L3MBTL1 3850/4885KDM4E 3921/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 1080/4885L3MBTL1 3437/4885KDM4E 3570/4885

“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.