SCHEMBL5389738

SCHEMBL5389738

Fc1ccc(-c2nn3ccccc3c2-c2ccncn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.72
EGFR P00533 2/20 0.72
GSK3B P49841 2/20 0.72
RAF1 P04049 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
ADORA2A P29274 1/20 0.72
ADORA2B P29275 1/20 0.72
ADORA1 P30542 1/20 0.72
CSNK1A1 P48729 3/20 0.50
MAPK9 P45984 2/20 0.50
MAP4K4 O95819 1/20 0.50
FRK P42685 1/20 0.50
MAPK10 P53779 1/20 0.48
MAPK11 Q15759 1/20 0.48
CSNK1D P48730 2/20 0.46
CSNK1E P49674 1/20 0.46
PTGS2 P35354 1/20 0.42
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 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
SCHEMBL8807304 0.89 MAPK14 (0.56) MAPK14EGFRGSK3BRAF1ADORA3
Gw434756X SCHEMBL5385166 0.84 MAPK14 (1.00) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL8836423 0.82 PTGS2 (0.59) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL5384464 0.81 MAPK14 (0.60) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL5799690 0.79 MAPK14 (0.57) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL5395995 0.79 GSK3B (0.59) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL5875590 0.78 MAPK14 (0.73) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL14593062 0.77 GSK3B (0.55) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL14593063 0.77 GSK3B (0.55) MAPK14EGFRGSK3BRAF1ADORA3
SCHEMBL5378766 0.77 MAPK14 (0.72) MAPK14EGFRGSK3BRAF1ADORA3

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 15 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
US-7109209-B2 Pyrazolopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US disclosed
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds ALBERTI MICHAEL J 2006-03-16 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-1372643-A1 PYRAZOLOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-02 EP disclosed
EP-1372642-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP disclosed
WO-2002078700-A1 PYRALOPYRIDINES, PROCESS FOR THEIR PREPARATION AND USE AS THERAPTEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
WO-2002078701-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO 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 (3 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-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 MAPK14 2256/4885EGFR 3870/4885GSK3B 2419/4885
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 MAPK14 77/4885EGFR 786/4885GSK3B 326/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885EGFR 4605/4885GSK3B 3047/4885

“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.