SCHEMBL4471815

SCHEMBL4471815

CC(=O)c1c(C2CCCCC2)nn2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 2/20 0.38
CDK2 P24941 1/20 0.38
MGLL Q99685 2/20 0.37
GAA P10253 1/20 0.34
CDK4 P11802 1/20 0.33
LCK P06239 1/20 0.33
PARP1 P09874 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CNR2 P34972 2/20 0.33
CYP11B2 P19099 1/20 0.33
NR1I2 O75469 1/20 0.32
KDM4B O94953 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
DOHH Q9BU89 1/20 0.32

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
SCHEMBL4480362 0.93 GSK3B (0.43) ALDH1A1MEN1KMT2AGSK3BCDK2
SCHEMBL4467383 0.82 TDP1 (0.38) ALDH1A1MEN1KMT2AGSK3BCDK2
SCHEMBL4467390 0.82 TDP1 (0.38) ALDH1A1MEN1KMT2AGSK3BCDK2
SCHEMBL4468006 0.75 TDP1 (0.40) ALDH1A1MEN1KMT2AGSK3BCDK2
SCHEMBL4478445 0.75 DYRK1A (0.43) ALDH1A1KMT2AMGLLCDK4POLB
SCHEMBL4471819 0.70 PTGS2 (0.52) MEN1KMT2AGSK3BCDK2POLB
SCHEMBL4480066 0.68 GSK3B (0.44) ALDH1A1MEN1KMT2AGSK3B
SCHEMBL4478240 0.68 PTGS2 (0.56) GSK3B
SCHEMBL20669578 0.66 DYRK1A (0.43) MEN1KMT2AMGLLGAACDK4
SCHEMBL4472139 0.66 PTGS1 (0.58) ALDH1A1MEN1KMT2AGSK3B

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 ALDH1A1 4212/4885MEN1 3198/4885KMT2A 1368/4885

“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.