SCHEMBL4469481

SCHEMBL4469481

Cc1c(CCCc2ccccc2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.55
VEGFA P15692 5/20 0.47
EGLN1 Q9GZT9 5/20 0.47
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NOTUM Q6P988 1/20 0.43
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4470835 0.91 MAPK14 (0.57) MAPK14VEGFAEGLN1TP53HTT
SCHEMBL4489524 0.82 MAPK14 (0.55) MAPK14VEGFAEGLN1TP53HTT
SCHEMBL28486488 0.75 MAPK14 (0.60) MAPK14VEGFAEGLN1TP53HTT
SCHEMBL3522171 0.74 POLB (0.46) MAPK14SMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL16281890 0.73 EGLN1 (0.60) MAPK14VEGFAEGLN1TP53HTT
SCHEMBL4382314 0.73 MAPK14 (0.57) MAPK14VEGFAEGLN1TP53HTT
SCHEMBL7078152 0.72 MAPK14 (0.54) MAPK14VEGFAEGLN1TP53HTT
SCHEMBL14900099 0.71 EGLN1 (0.69) MAPK14VEGFAEGLN1TP53HTT
SCHEMBL17340650 0.71 VEGFA (0.48) MAPK14VEGFAEGLN1TP53SMN1; SMN2
SCHEMBL4476593 0.71 MAPK14 (1.00) MAPK14TP53HTTSMN1; SMN2KDM4E

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 8 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-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 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

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 41/4885VEGFA 3363/4885EGLN1 4046/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885VEGFA 2240/4885EGLN1 3030/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885VEGFA 3345/4885EGLN1 3980/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885VEGFA 3633/4885EGLN1 4210/4885

“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.