SCHEMBL4378250

SCHEMBL4378250

O=c1c(Br)c(C#Cc2ccccc2)ccn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.53
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
VEGFA P15692 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4476692 0.88 MAPK14 (0.54) MAPK14ALDH1A1POLBKDM4ELMNA
SCHEMBL3523119 0.75 MAPK14 (0.45) MAPK14POLBKDM4ELMNASMN1; SMN2
SCHEMBL4392960 0.74 MAPK14 (0.60) MAPK14ALDH1A1POLBKDM4EVEGFA
SCHEMBL6652303 0.74 MAPK14 (0.60) MAPK14ALDH1A1POLBKDM4EVEGFA
SCHEMBL6652306 0.74 MAPK14 (0.60) MAPK14ALDH1A1POLBKDM4EVEGFA
SCHEMBL13436249 0.73 MAPK14 (0.64) MAPK14ALDH1A1POLBKDM4EHTT
SCHEMBL4382314 0.72 MAPK14 (0.57) MAPK14POLBKDM4EVEGFAEGLN1
SCHEMBL20873304 0.72 NOTUM (0.60) MAPK14ALDH1A1POLBKDM4EVEGFA
SCHEMBL13436255 0.71 MAPK14 (0.62) MAPK14ALDH1A1POLBKDM4EHTT
SCHEMBL4489524 0.70 MAPK14 (0.55) MAPK14POLBKDM4EVEGFAEGLN1

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
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-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 MAPK14 41/4885ALDH1A1 787/4885POLB 1610/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885ALDH1A1 1030/4885POLB 2922/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885ALDH1A1 741/4885POLB 1676/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885ALDH1A1 1080/4885POLB 2127/4885

“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.