SCHEMBL4487174

SCHEMBL4487174

COc1cc(Nc2ccn(Cc3cccc(F)c3)c(=O)c2Br)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.54
PTGER3 P43115 1/20 0.48
P2RX7 Q99572 8/20 0.45
BRAF P15056 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
PTK2 Q05397 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4478413 0.83 MAPK14 (0.56) MAPK14PTGER3KDM4EALDH1A1L3MBTL1
SCHEMBL3524830 0.83 MAPK14 (0.47) MAPK14PTGER3P2RX7BRAFTP53
SCHEMBL4477737 0.82 MAPK14 (0.50) MAPK14PTGER3TP53GAAKDM4E
SCHEMBL4466743 0.78 MAPK14 (0.60) MAPK14PTGER3KDM4EALDH1A1L3MBTL1
SCHEMBL4474073 0.78 MAPK14 (0.57) MAPK14PTGER3KDM4EALDH1A1L3MBTL1
SCHEMBL4389631 0.76 ALDH1A1 (0.55) MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL4378463 0.74 MAPK14 (0.64) MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL4392919 0.73 MAPK14 (0.89) MAPK14KDM4EALDH1A1
SCHEMBL4489729 0.73 MAPK14 (0.75) MAPK14PTGER3P2RX7TP53KDM4E
SCHEMBL4477534 0.73 MAPK14 (0.82) MAPK14PTGER3P2RX7TP53KDM4E

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 41/4885PTGER3 910/4885P2RX7 205/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885PTGER3 499/4885P2RX7 81/4885

“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.