SCHEMBL5381902

SCHEMBL5381902

CS(=O)(=O)c1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)nn3cc(C(F)(F)F)ccc23)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.53
GSK3B P49841 6/20 0.38
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
PTGS2 P35354 3/20 0.36
SDHB P21912 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL5382328 0.95 MAPK14 (0.58) MAPK14GSK3BCSNK1A1CSNK1DCSNK1E
SCHEMBL5391043 0.88 MAPK14 (0.43) MAPK14GSK3BPTGS2SDHBKDM4E
SCHEMBL5395773 0.87 PTGS2 (0.41) MAPK14GSK3BPTGS2SDHB
SCHEMBL5379861 0.81 MAPK14 (0.55) MAPK14GSK3BCSNK1A1CSNK1DCSNK1E
SCHEMBL7163586 0.78 MAPK14 (0.57) MAPK14GSK3BCSNK1A1CSNK1DCSNK1E
SCHEMBL18963 0.78 NPSR1 (0.49) PTGS2SDHBKDM4EMITFALDH1A1
Gw568326X SCHEMBL5391204 0.77 MAPK14 (0.64) MAPK14GSK3BCSNK1A1CSNK1DCSNK1E
SCHEMBL5385825 0.76 MAPK14 (0.60) MAPK14GSK3BCSNK1A1CSNK1DCSNK1E
SCHEMBL14593063 0.76 GSK3B (0.55) MAPK14GSK3BPTGS2
SCHEMBL5379844 0.75 MAPK14 (0.50) MAPK14CSNK1A1CSNK1DCSNK1EPTGS2

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-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP disclosed
WO-2002016359-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-02-28 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-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 MAPK14 77/4885GSK3B 326/4885CSNK1A1 198/4885

“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.