SCHEMBL5388940

SCHEMBL5388940

Fc1ccc(-c2nn3ccccc3c2-c2ccnc(NCc3ccccn3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
GSK3B P49841 10/20 0.51
EGFR P00533 1/20 0.51
RAF1 P04049 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
MAPK9 P45984 2/20 0.45
MAPK8 P45983 1/20 0.45
SLC2A1 P11166 1/20 0.42
MAPK10 P53779 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CDK2 P24941 1/20 0.40

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
SCHEMBL5388606 0.88 GSK3B (0.54) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5395995 0.86 GSK3B (0.59) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5761868 0.85 GSK3B (0.52) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL5379424 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5400263 0.83 GSK3B (0.50) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL5761865 0.81 MAPK9 (0.62) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5398657 0.80 MAPK9 (0.56) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5452938 0.79 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5395855 0.78 MKNK1 (0.51) MAPK14GSK3BEGFRRAF1ADORA3
SCHEMBL5384464 0.78 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11GSK3B

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 77/4885MAPK13 71/4885MAPK12 169/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885MAPK13 2280/4885MAPK12 1530/4885

“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.