SCHEMBL4488916

SCHEMBL4488916

O=c1c(Br)c(OCc2ccc(F)cc2)ccn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.77
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL4478405 0.92 MAPK14 (0.90) MAPK14ALDH1A1SMN1; SMN2MAPTTHRB
SCHEMBL4381283 0.91 MAPK14 (0.79) MAPK14ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4478492 0.90 MAPK14 (0.75) MAPK14SMN1; SMN2MAPTTHRB
SCHEMBL4480779 0.88 MAPK14 (0.82) MAPK14MAPTTHRB
SCHEMBL4468220 0.88 MAPK14 (0.78) MAPK14ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4473334 0.87 MAPK14 (0.78) MAPK14ALDH1A1SMN1; SMN2MAPTTHRB
SCHEMBL4466494 0.87 MAPK14 (1.00) MAPK14ALDH1A1SMN1; SMN2MAPTTHRB
SCHEMBL4462584 0.87 MAPK14 (0.85) MAPK14ALDH1A1SMN1; SMN2MAPTTHRB
SCHEMBL4490267 0.84 MAPK14 (0.77) MAPK14SMN1; SMN2MAPTTHRB
SCHEMBL4467678 0.84 MAPK14 (0.77) MAPK14ALDH1A1KDM4ESMN1; SMN2MAPT

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 41/4885ALDH1A1 787/4885KDM4E 3869/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885ALDH1A1 741/4885KDM4E 3921/4885

“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.