SCHEMBL4476692

SCHEMBL4476692

O=c1c(Br)c(C#Cc2ccccc2)ccn1Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.54
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
PDE1C Q14123 2/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DBH P09172 1/20 0.39
GRM4 Q14833 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL4378250 0.88 MAPK14 (0.53) MAPK14ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL4380254 0.80 KDM4E (0.54) MAPK14ALDH1A1KDM4EPKMPOLB
SCHEMBL3522412 0.80 MAPK14 (0.47) MAPK14ALDH1A1KDM4ESMN1; SMN2THRB
SCHEMBL4480725 0.79 MAPK14 (0.46) MAPK14ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4378463 0.79 MAPK14 (0.64) MAPK14ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL14547795 0.78 MAPK14 (0.58) MAPK14ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4382222 0.77 MAPK14 (0.57) MAPK14ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4374173 0.76 MAPK14 (0.61) MAPK14ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4384464 0.76 MAPK14 (0.61) MAPK14ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4478413 0.76 MAPK14 (0.56) MAPK14ALDH1A1KDM4EPKMSMN1; SMN2

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 11 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-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 41/4885ALDH1A1 787/4885KDM4E 3869/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885ALDH1A1 1030/4885KDM4E 4408/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885ALDH1A1 741/4885KDM4E 3921/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885ALDH1A1 1080/4885KDM4E 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.