SCHEMBL4068837

SCHEMBL4068837

O=c1ccc2c(-c3ccc(F)cc3F)cccc2n1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.52
MAPK11 Q15759 9/20 0.52
MAPK13 O15264 8/20 0.52
MAPK12 P53778 8/20 0.52
KCNH2 Q12809 1/20 0.47
NR1I2 O75469 1/20 0.39
RIPK1 Q13546 1/20 0.36

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
SCHEMBL4060643 0.89 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4069015 0.83 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4064478 0.77 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12
SCHEMBL13702959 0.77 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12
SCHEMBL4299635 0.76 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL27630502 0.75 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL17950058 0.71 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL17950040 0.70 KDM4E (0.47) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6864369 0.69 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL17950059 0.68 MAPK14 (0.43) MAPK14MAPK11MAPK13MAPK12NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP claimed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US claimed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP claimed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US disclosed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP disclosed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO 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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 MAPK14 32/4885MAPK11 66/4885MAPK13 60/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 MAPK14 32/4885MAPK11 66/4885MAPK13 60/4885

“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.