SCHEMBL4474203

SCHEMBL4474203

O=c1c(Br)c(N2CCN(c3ccc(F)cc3)CC2)ccn1Cc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.57
THRB P10828 2/20 0.45
POLB P06746 1/20 0.45
HTR6 P50406 1/20 0.44
TP53 P04637 2/20 0.44
STAT6 P42226 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PDE1C Q14123 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL4473914 0.81 MAPK14 (0.46) MAPK14THRBPOLBHTR6TP53
SCHEMBL3517699 0.81 MAPK14 (0.50) MAPK14POLBTP53STAT6PIK3CD
SCHEMBL4469675 0.80 MAPK14 (0.48) MAPK14HTR6TP53ALDH1A1
SCHEMBL27621117 0.79 MAPK14 (0.47) MAPK14THRBPOLBHTR6PDE1C
SCHEMBL4378463 0.77 MAPK14 (0.64) MAPK14THRBPOLBPDE1CALDH1A1
SCHEMBL4490349 0.76 MAPK14 (0.64) MAPK14THRBPOLBPDE1CLMNA
Tert-Butyl Formate SCHEMBL27621119 0.76 MAPK14 (0.46) MAPK14THRBPOLBHTR6PDE1C
SCHEMBL4374173 0.74 MAPK14 (0.61) MAPK14THRBPOLBPDE1CLMNA
SCHEMBL4384464 0.74 MAPK14 (0.61) MAPK14THRBPOLBPDE1CALDH1A1
Hydrochloric Acid SCHEMBL4376344 0.73 MAPK14 (0.60) MAPK14THRBPOLBPDE1CALDH1A1

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 41/4885THRB 1532/4885POLB 1610/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885THRB 1529/4885POLB 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.