SCHEMBL5388772

SCHEMBL5388772

Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 14/20 0.59
CDK5 Q00535 6/20 0.59
CLK4 Q9HAZ1 6/20 0.59
CLK2 P49760 5/20 0.59
CDK2 P24941 4/20 0.59
MAPK8 P45983 4/20 0.59
TAOK1 Q7L7X3 3/20 0.59
LIMK1 P53667 2/20 0.59
FLT4 P35916 2/20 0.59
SLK Q9H2G2 2/20 0.59
MAPK1 P28482 1/20 0.59
CSNK2A1 P68400 1/20 0.59
GSK3B P49841 6/20 0.54
CDK1 P06493 3/20 0.54
HIPK2 Q9H2X6 2/20 0.54
GSK3A P49840 2/20 0.54
DYRK3 O43781 1/20 0.54
PRKCD Q05655 1/20 0.54
PKN2 Q16513 1/20 0.54
BRSK1 Q8TDC3 1/20 0.54

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
SCHEMBL7256529 0.79 DYRK1A (0.58) DYRK1ACDK5CLK4CLK2CDK2
SCHEMBL7256504 0.78 JAK2 (0.51) DYRK1ACDK5CLK4CLK2CDK2
SCHEMBL5395498 0.77 GSK3A (0.57) DYRK1ACLK2GSK3BGSK3APIM1
Hydrochloric Acid SCHEMBL6789760 0.76 GSK3A (0.56) DYRK1ACLK2GSK3BGSK3APIM1
SCHEMBL7259210 0.75 DYRK1A (0.50) DYRK1ACDK5CLK4CLK2CDK2
SCHEMBL7259209 0.75 DYRK1A (0.57) DYRK1ACDK5CLK4CLK2CDK2
SCHEMBL7255591 0.73 CDK2 (0.66) DYRK1ACDK5CLK4CLK2CDK2
SCHEMBL1460319 0.73 GSK3A (0.59) CDK5CLK4MAPK8LIMK1MAPK1
SCHEMBL5399927 0.73 DYRK1A (0.67) DYRK1ACDK5CLK4CLK2CDK2
SCHEMBL7255597 0.72 DYRK1A (0.48) DYRK1ACDK5CLK4CLK2CDK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US disclosed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US disclosed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US disclosed
WO-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 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-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 DYRK1A 1135/4885CDK5 743/4885CLK4 250/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP DYRK1A 1841/4885CDK5 1886/4885CLK4 791/4885

“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.