SCHEMBL4468353

SCHEMBL4468353

O=c1c(Br)c(OCc2ccc(F)cc2)ccn1CCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.64
SMN1; SMN2 Q16637 1/20 0.45
GRM2 Q14416 1/20 0.43
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 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
SCHEMBL4462584 0.86 MAPK14 (0.85) MAPK14SMN1; SMN2
SCHEMBL4480893 0.81 MAPK14 (0.69) MAPK14SMN1; SMN2GRM2
SCHEMBL3519359 0.81 MAPK14 (0.44) MAPK14SMN1; SMN2
SCHEMBL4490267 0.81 MAPK14 (0.77) MAPK14SMN1; SMN2
SCHEMBL4478405 0.80 MAPK14 (0.90) MAPK14SMN1; SMN2
SCHEMBL27779082 0.80 MAPK14 (0.62) MAPK14PTGER1PTGER4PTGER3PTGER2
SCHEMBL4379163 0.78 MAPK14 (1.00) MAPK14SMN1; SMN2
SCHEMBL4470415 0.78 MAPK14 (1.00) MAPK14SMN1; SMN2GRM2
SCHEMBL4473993 0.77 MAPK14 (0.70) MAPK14GRM2
SCHEMBL4471544 0.77 MAPK14 (0.64) MAPK14SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US claimed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 US claimed
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-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20070088033-A1 Diaryl Substituted Pyridinones DEVADAS BALEKUDRU 2007-04-19 US disclosed
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PHARMACIA CORPORATION, GLOBAL PATENT DEPARTMENT (US) 2006-09-21 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
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 (4 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 41/4885SMN1; SMN2 1433/4885GRM2 1349/4885
US-20060211694-A1 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease LTB4R2, LTB4R, MAPK1 MAPK14 79/4885SMN1; SMN2 4119/4885GRM2 1868/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885SMN1; SMN2 1419/4885GRM2 1436/4885
US-20070088033-A1 Diaryl Substituted Pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 46/4885SMN1; SMN2 1990/4885GRM2 1578/4885

“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.