SCHEMBL5757768

SCHEMBL5757768

Cc1ccccc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.56
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
GSK3B P49841 1/20 0.51
CSNK1A1 P48729 2/20 0.45
CSNK1D P48730 2/20 0.45
CSNK1E P49674 1/20 0.45
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
DHODH Q02127 1/20 0.39
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 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
SCHEMBL5393596 0.90 MAPK14 (0.52) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5384493 0.86 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5390899 0.86 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5379580 0.86 MAPK14 (0.54) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5760751 0.86 MAPK14 (0.57) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5394831 0.83 MAPK14 (0.52) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5391644 0.79 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5384695 0.79 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5385914 0.79 MAPK14 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5379415 0.77 MAPK14 (0.68) MAPK14EGFRRAF1ADORA3ADORA2A

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 5 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
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 MAPK14 77/4885EGFR 786/4885RAF1 1/4885

“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.