SCHEMBL5408575

SCHEMBL5408575

CCCC(=O)Nc1n[nH]c2ncc(-c3cccnc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.70
CYP1A2 P05177 1/20 0.70
GSK3A P49840 10/20 0.69
DYRK1A Q13627 2/20 0.53
MAP4K4 O95819 1/20 0.53
CDK1 P06493 1/20 0.53
CDK2 P24941 1/20 0.53
LIMK1 P53667 1/20 0.53
CDK5 Q00535 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
STK17A Q9UEE5 1/20 0.53
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
CDK7 P50613 1/20 0.48

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
SCHEMBL5390676 0.89 GSK3B (0.69) GSK3BGSK3ADYRK1AMAP4K4CDK1
SCHEMBL7155632 0.83 GSK3B (0.62) GSK3BGSK3ADYRK1AMAP4K4CDK1
SCHEMBL31060518 0.82 GSK3B (1.00) GSK3BCYP1A2
SCHEMBL6489919 0.82 GSK3B (1.00) GSK3BCYP1A2
SCHEMBL30746807 0.81 GSK3B (1.00) GSK3BCYP1A2GSK3ADYRK1ACDK2
SCHEMBL31221867 0.81 CDK7 (0.72) GSK3BGSK3ADYRK1AMAP4K4CDK1
SCHEMBL7261966 0.81 GSK3B (0.61) GSK3BCYP1A2GSK3ADYRK1AMAP4K4
SCHEMBL4297488 0.80 GSK3B (0.62) GSK3BCYP1A2GSK3ADYRK1A
SCHEMBL10059340 0.79 GSK3B (0.69) GSK3BGSK3ADYRK1AMAP4K4CDK1
SCHEMBL11233493 0.78 GSK3B (0.58) GSK3BCYP1A2GSK3A

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 6 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
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 GSK3B 1358/4885CYP1A2 127/4885GSK3A 1785/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP GSK3B 2526/4885CYP1A2 95/4885GSK3A 3027/4885

“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.