SCHEMBL5378933

SCHEMBL5378933

OCCNc1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)ccn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.58
EGFR P00533 1/20 0.58
RAF1 P04049 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
GSK3B P49841 1/20 0.58
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1E P49674 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 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
SCHEMBL5393581 0.94 MAPK14 (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5379033 0.90 MAPK14 (0.58) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL14592984 0.88 MAPK14 (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5378779 0.88 MAPK14 (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL14593153 0.87 MAPK14 (0.55) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5382408 0.87 MAPK14 (0.55) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5387834 0.86 MAPK14 (0.54) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5385808 0.86 MAPK14 (0.58) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6489536 0.85 MAPK14 (0.57) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5391370 0.82 MAPK14 (0.53) 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 8 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
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 (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 77/4885EGFR 786/4885RAF1 1/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885EGFR 4605/4885RAF1 1769/4885

“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.