SCHEMBL4480362

SCHEMBL4480362

CC(=O)c1c(C2CC2)nn2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
CDK2 P24941 1/20 0.43
MGLL Q99685 2/20 0.37
CDK4 P11802 2/20 0.35
SSTR4 P31391 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
KDR P35968 1/20 0.33
RET P07949 1/20 0.33
PTGS2 P35354 3/20 0.33
DYRK1A Q13627 3/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL4471815 0.93 ALDH1A1 (0.39) GSK3BCDK2MGLLCDK4MEN1
SCHEMBL4468006 0.81 TDP1 (0.40) GSK3BCDK2MEN1ALDH1A1KMT2A
SCHEMBL4478445 0.78 DYRK1A (0.43) MGLLCDK4ALDH1A1KMT2APTGS2
SCHEMBL4467383 0.76 TDP1 (0.38) GSK3BCDK2MGLLMEN1ALDH1A1
SCHEMBL4467390 0.76 TDP1 (0.38) GSK3BCDK2MGLLMEN1ALDH1A1
SCHEMBL4471819 0.73 PTGS2 (0.52) GSK3BCDK2MEN1KMT2AKDR
SCHEMBL4479972 0.70 KDR (0.45) CDK4MEN1ALDH1A1KMT2AKDR
SCHEMBL4478240 0.70 PTGS2 (0.56) GSK3BKDRPTGS2
SCHEMBL4480066 0.70 GSK3B (0.44) GSK3BMEN1ALDH1A1KMT2AKDR
SCHEMBL20669578 0.69 DYRK1A (0.43) MGLLCDK4MEN1KMT2APTGS2

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-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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 (1 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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885CDK2 91/4885MGLL 4501/4885

“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.