SCHEMBL4390110

SCHEMBL4390110

CC(Oc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.61
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
PDE1C Q14123 2/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER3 P43115 1/20 0.38
GNRHR P30968 1/20 0.38

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
SCHEMBL3521293 0.81 MAPK14 (0.46) MAPK14KDM4EALDH1A1THRBPDE1C
SCHEMBL4467417 0.81 MAPK14 (0.89) MAPK14KDM4EALDH1A1L3MBTL1POLB
SCHEMBL4392919 0.78 MAPK14 (0.89) MAPK14KDM4EALDH1A1POLBTHRB
SCHEMBL4377490 0.76 MAPK14 (0.63) MAPK14KDM4EALDH1A1L3MBTL1POLB
SCHEMBL4485452 0.76 MAPK14 (0.74) MAPK14
SCHEMBL4379163 0.76 MAPK14 (1.00) MAPK14SMN1; SMN2
SCHEMBL4466645 0.75 MAPK14 (0.51) MAPK14KDM4EALDH1A1L3MBTL1POLB
SCHEMBL4471003 0.75 MAPK14 (0.78) MAPK14POLB
SCHEMBL4378463 0.75 MAPK14 (0.64) MAPK14KDM4EALDH1A1L3MBTL1POLB
SCHEMBL14547795 0.75 MAPK14 (0.58) MAPK14KDM4EALDH1A1L3MBTL1POLB

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

“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.