SCHEMBL4480779

SCHEMBL4480779

O=c1c(Br)c(OCc2ccc(C(F)(F)F)cc2)ccn1Cc1cccc(F)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.82
MAPT P10636 2/20 0.44
LRRK2 Q5S007 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CLPP Q16740 1/20 0.41
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
PTPN1 P18031 1/20 0.40
PDE1C Q14123 1/20 0.39

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
SCHEMBL4482020 0.91 MAPK14 (0.80) MAPK14POLBTHRBPDE1C
SCHEMBL4379163 0.90 MAPK14 (1.00) MAPK14
SCHEMBL4468220 0.90 MAPK14 (0.78) MAPK14MAPTLMNATP53RXFP1
SCHEMBL4467417 0.89 MAPK14 (0.89) MAPK14POLBTHRBPDE1C
SCHEMBL4392919 0.89 MAPK14 (0.89) MAPK14MAPTPOLBTHRBPDE1C
SCHEMBL4381283 0.88 MAPK14 (0.79) MAPK14MAPTLMNATP53RXFP1
SCHEMBL4488916 0.88 MAPK14 (0.77) MAPK14MAPTTHRB
SCHEMBL4376522 0.86 MAPK14 (0.72) MAPK14MAPTLMNATP53RXFP1
SCHEMBL4477534 0.85 MAPK14 (0.82) MAPK14MAPTLMNATP53
SCHEMBL4382379 0.85 MAPK14 (0.82) MAPK14POLBTHRBPDE1C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US 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 MAPK14 41/4885MAPT 2803/4885LRRK2 342/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885MAPT 2543/4885LRRK2 458/4885

“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.