SCHEMBL4468009

SCHEMBL4468009

CN(C)C=CC(=O)c1c(C2CC2)nn2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
HTT P42858 4/20 0.38
GSK3B P49841 2/20 0.37
CDK2 P24941 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 3/20 0.36
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4468006 1.00 TDP1 (0.40) TDP1HTTGSK3BCDK2RECQL
SCHEMBL4467383 0.94 TDP1 (0.38) TDP1HTTGSK3BCDK2RECQL
SCHEMBL4467390 0.94 TDP1 (0.38) TDP1HTTGSK3BCDK2RECQL
SCHEMBL4471179 0.82 TDP1 (0.44) TDP1HTTRECQLPOLBMAPT
SCHEMBL4471173 0.82 TDP1 (0.44) TDP1HTTRECQLPOLBMAPT
SCHEMBL4480362 0.81 GSK3B (0.43) GSK3BCDK2ALDH1A1MEN1KMT2A
SCHEMBL4479153 0.79 TDP1 (0.42) TDP1HTTRECQLPOLBMAPT
SCHEMBL4479149 0.79 TDP1 (0.42) TDP1HTTRECQLPOLBMAPT
SCHEMBL4467387 0.78 POLB (0.52) TDP1HTTGSK3BCDK2RECQL
SCHEMBL4485374 0.78 POLB (0.52) TDP1HTTGSK3BCDK2RECQL

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 TDP1 1344/4885HTT 3314/4885GSK3B 1/4885

“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.