SCHEMBL4382783

SCHEMBL4382783

Cc1ncc(Cn2c(C)cc(O)cc2=O)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TKT P29401 4/20 0.51
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.48
TLR7 Q9NYK1 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4378465 0.81 TKT (0.48) TKTLMNADRD4ALDH1A1CYP3A4
SCHEMBL4382354 0.79 TKT (0.48) TKTLMNADRD4ALDH1A1CYP3A4
SCHEMBL4384948 0.70 POLB (0.53) LMNAPOLBTLR7
SCHEMBL12346332 0.68 LMNA (0.63) TKTLMNAALDH1A1TSHR
SCHEMBL13603026 0.68 MAPK14 (0.52)
SCHEMBL7607052 0.67 LMNA (1.00) TKTLMNAALDH1A1TSHR
Thiamine Thiazolone SCHEMBL4105498 0.67 TKT (0.98) TKTLMNA
SCHEMBL11427185 0.66 POLB (1.00) LMNAPOLBALDH1A1CYP3A4
SCHEMBL479344 0.66 LMNA (0.61) TKTLMNAALDH1A1
SCHEMBL11374356 0.65 TKT (0.67) TKTLMNAALDH1A1

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-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-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 (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 TKT 1722/4885LMNA 1815/4885POLB 1610/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 TKT 1431/4885LMNA 1884/4885POLB 1676/4885

“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.