SCHEMBL5404386

SCHEMBL5404386

Fc1ccc(-c2nn3cc(C(F)(F)F)ccc3c2-c2ccnc(NCc3ccccc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.54
GSK3B P49841 10/20 0.49
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MAPT P10636 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL5395106 0.88 MAPK14 (0.57) MAPK14GSK3BMAPK13
SCHEMBL5388349 0.86 MAPK14 (0.55) MAPK14GSK3B
SCHEMBL5392567 0.85 MAPK14 (0.54) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5388606 0.85 GSK3B (0.54) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5388005 0.85 MAPK14 (0.53) MAPK14GSK3B
SCHEMBL5388922 0.85 MAPK14 (0.53) MAPK14GSK3BMAPK13
SCHEMBL5395244 0.84 MAPK14 (0.52) MAPK14GSK3BMKNK1
SCHEMBL5400235 0.83 MAPK14 (0.52) MAPK14GSK3BMKNK1
SCHEMBL5388048 0.82 MAPK14 (0.51) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL5388345 0.82 MAPK14 (0.57) MAPK14GSK3BMAPK13MAPK12MAPK11

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-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

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 326/4885MAPK13 71/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885GSK3B 3047/4885MAPK13 2280/4885

“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.