SCHEMBL5404007

SCHEMBL5404007

CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 13/20 1.00
CDK1 P06493 4/20 0.79
CCNB2 O95067 1/20 0.79
CCNB1 P14635 1/20 0.79
CCNB3 Q8WWL7 1/20 0.79
GSK3B P49841 16/20 0.78
CDK2 P24941 4/20 0.66
LIMK1 P53667 2/20 0.66
CDK5 Q00535 2/20 0.66
DYRK1A Q13627 2/20 0.66
CLK4 Q9HAZ1 2/20 0.66
MAPK1 P28482 1/20 0.66
FLT4 P35916 1/20 0.66
MAPK8 P45983 1/20 0.66
CLK2 P49760 1/20 0.66
CSNK2A1 P68400 1/20 0.66
TAOK1 Q7L7X3 1/20 0.66
SLK Q9H2G2 1/20 0.66
MAP4K4 O95819 1/20 0.60
STK17A Q9UEE5 1/20 0.60

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
SCHEMBL10059342 0.89 GSK3A (1.00) GSK3ACDK1CCNB2CCNB1CCNB3
Hydrochloric Acid SCHEMBL5403658 0.87 GSK3B (0.98) GSK3ACDK1CCNB2CCNB1CCNB3
Hydrochloric Acid SCHEMBL5395087 0.81 GSK3A (0.68) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL5829062 0.81 GSK3B (1.00) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL5390676 0.81 GSK3B (0.69) GSK3ACDK1GSK3BCDK2LIMK1
SCHEMBL1461843 0.77 GSK3B (1.00) GSK3ACDK1GSK3BCDK2
SCHEMBL4493121 0.77 GSK3B (1.00) GSK3AGSK3B
SCHEMBL31060453 0.77 GSK3B (1.00) GSK3AGSK3B
SCHEMBL7255560 0.76 GSK3A (0.78) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL7155632 0.76 GSK3B (0.62) GSK3ACDK1CCNB2CCNB1CCNB3

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 4 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

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 GSK3A 1785/4885CDK1 779/4885CCNB2 2298/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP GSK3A 3027/4885CDK1 1444/4885CCNB2 3128/4885

“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.