SCHEMBL5388922

SCHEMBL5388922

OCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.53
GSK3B P49841 7/20 0.46
DYRK1B Q9Y463 2/20 0.40
MAPK13 O15264 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
FGFR1 P11362 1/20 0.39
MAPK1 P28482 1/20 0.39
KDR P35968 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
LIMK1 P53667 1/20 0.39
CSNK1G2 P78368 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.39

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
SCHEMBL5400235 0.91 MAPK14 (0.52) MAPK14GSK3B
SCHEMBL5388005 0.91 MAPK14 (0.53) MAPK14GSK3BMAPK10
SCHEMBL5388349 0.89 MAPK14 (0.55) MAPK14GSK3BMAPK10
SCHEMBL5395106 0.87 MAPK14 (0.57) MAPK14GSK3BMAPK13PRKD3MAP4K4
SCHEMBL5395244 0.87 MAPK14 (0.52) MAPK14GSK3B
SCHEMBL14593041 0.87 MKNK1 (0.49) MAPK14GSK3BMAPK13
SCHEMBL5390860 0.86 MAPK14 (0.47) MAPK14GSK3B
SCHEMBL5384542 0.86 MAPK14 (0.48) MAPK14GSK3BMAPK13MAPK8
SCHEMBL5388048 0.85 MAPK14 (0.51) MAPK14GSK3BMAPK13CSNK1D
SCHEMBL5392567 0.85 MAPK14 (0.54) MAPK14GSK3BMAPK13CSNK1A1CSNK1D

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 13 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 claimed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP claimed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US claimed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP claimed
WO-2002016359-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-02-28 WO claimed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
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-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US 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 (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-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 MAPK14 77/4885GSK3B 326/4885DYRK1B 1022/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885GSK3B 3047/4885DYRK1B 3949/4885

“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.