SCHEMBL4470039

SCHEMBL4470039

CSc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccc(F)cc3F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.46
MAPK13 O15264 10/20 0.46
MAPK12 P53778 10/20 0.46
MAPK11 Q15759 10/20 0.46
KCNH2 Q12809 1/20 0.46
GLA P06280 1/20 0.39
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 2/20 0.35
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4946909 0.89 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065138 0.85 HSP90AB1 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6859846 0.84 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2719208 0.84 GLA (0.40) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4949009 0.83 HSP90AB1 (0.42) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1060632 0.83 ALDH1A1 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4946667 0.81 PDE7A (0.38) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4485577 0.81 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065530 0.81 HSP90AB1 (0.43) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4473185 0.79 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-7629350-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
EP-1499320-B1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-20060293348-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-28 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 (1 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-20060293348-A1 Novel compounds MAPKAPK2, CREBBP, CDC42BPB MAPK14 42/4885MAPK13 43/4885MAPK12 85/4885

“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.