SCHEMBL5378772

SCHEMBL5378772

FC(F)(F)c1ccc2c(-c3ccnc(NCCN4CCCCC4)n3)c(-c3cccc(Cl)c3)nn2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.41
MKNK1 Q9BUB5 1/20 0.40
EIF2AK2 P19525 2/20 0.40
TRPA1 O75762 1/20 0.39
CDK2 P24941 1/20 0.38
CDK4 P11802 1/20 0.38
CCND3 P30281 1/20 0.38
CAMK2D Q13557 1/20 0.37

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
SCHEMBL5395659 1.00 GSK3B (0.41) GSK3BMKNK1EIF2AK2TRPA1CDK2
SCHEMBL5388145 0.99 GSK3B (0.41) GSK3BMKNK1EIF2AK2TRPA1CDK2
SCHEMBL5389843 0.95 MKNK1 (0.46) GSK3BMKNK1TRPA1CDK2
SCHEMBL5389042 0.95 MKNK1 (0.43) GSK3BMKNK1TRPA1CDK2
SCHEMBL5383851 0.92 GSK3B (0.41) GSK3BMKNK1EIF2AK2TRPA1CDK2
SCHEMBL5379023 0.90 MKNK1 (0.39) GSK3BMKNK1EIF2AK2
SCHEMBL5378730 0.90 MKNK1 (0.39) GSK3BMKNK1EIF2AK2
SCHEMBL5382444 0.89 GSK3B (0.39) GSK3BMKNK1EIF2AK2
SCHEMBL5395033 0.89 MAPK14 (0.46) GSK3BMKNK1EIF2AK2
SCHEMBL5398417 0.89 MAPK14 (0.46) GSK3BMKNK1EIF2AK2

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 7 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-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 GSK3B 326/4885MKNK1 36/4885EIF2AK2 1054/4885

“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.