SCHEMBL4945708

SCHEMBL4945708

CSc1nc(-c2ccc(F)cc2F)c2cc(C(=O)O)c(=O)n(-c3c(F)cc(F)cc3F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
MAPK14 Q16539 3/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TTR P02766 2/20 0.34
DHFR P00374 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
HMGB1 P09429 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL14534029 0.91 MAPK14 (0.38) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4950735 0.87 HSP90AB1 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4946909 0.81 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL14046339 0.79 PDE7A (0.39) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4948958 0.75 IL2 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4470039 0.73 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4473185 0.72 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL6859846 0.71 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1065155 0.68 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL14028120 0.66 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14KCNH2

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-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US claimed
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20080268044-A1 Novel Process and Formulations GLAXO GROUP LIMITED 2008-10-30 US disclosed
WO-2007059500-A2 NOVEL PROCESS AND FORMULATIONS GLAXO GROUP LIMITED (GB) 2007-05-24 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 (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-20080268044-A1 Novel Process and Formulations UGT1A7, UGT2B7, CYP3A7 MAPK13 2574/4885MAPK12 2708/4885MAPK11 2124/4885

“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.