SCHEMBL5386739

SCHEMBL5386739

OCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3cc(C(F)(F)F)ccc23)ccn1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.60
RIPK3 Q9Y572 1/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1E P49674 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
CSNK2A1 P68400 1/20 0.39
FYN P06241 1/20 0.38
MAPK8 P45983 1/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 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
SCHEMBL5393581 0.84 MAPK14 (0.56) MAPK14CSNK1A1CSNK1DCSNK1EMKNK1
SCHEMBL5388922 0.84 MAPK14 (0.53) MAPK14CSNK1A1CSNK1DMAPK8KDR
SCHEMBL5389822 0.81 MAPK14 (0.65) MAPK14CSNK1A1CSNK1DCSNK1E
SCHEMBL5388027 0.80 MAPK14 (0.64) MAPK14CSNK1A1CSNK1DCSNK1E
SCHEMBL5391214 0.80 MAPK14 (0.76) MAPK14CSNK1A1CSNK1DCSNK1ESRC
SCHEMBL5762620 0.79 MAPK14 (0.52) MAPK14RIPK3CSNK1A1CSNK1DCSNK1E
SCHEMBL5378933 0.78 MAPK14 (0.58) MAPK14CSNK1A1CSNK1DCSNK1E
SCHEMBL5391074 0.77 MAPK14 (0.47) MAPK14CSNK1A1CSNK1DCSNK1E
SCHEMBL5388978 0.76 MAPK14 (1.00) MAPK14CSNK1A1CSNK1DCSNK1ESRC
SCHEMBL5400235 0.75 MAPK14 (0.52) MAPK14MKNK1

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 10 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-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-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 (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 77/4885RIPK3 76/4885CSNK1A1 198/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885RIPK3 1178/4885CSNK1A1 3143/4885

“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.