SCHEMBL4480066

SCHEMBL4480066

CC(=O)c1c(-c2ccc(Cl)cc2)nn2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.44
PTGS2 P35354 6/20 0.43
PTGS1 P23219 4/20 0.40
PKM P14618 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSF1R P07333 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL4471819 0.87 PTGS2 (0.52) GSK3BPTGS2PTGS1PKMMEN1
SCHEMBL4478240 0.86 PTGS2 (0.56) GSK3BPTGS2PTGS1PKMCSF1R
SCHEMBL4472139 0.84 PTGS1 (0.58) GSK3BPTGS2PTGS1PDE4BKDM4E
SCHEMBL4474200 0.83 PTGS2 (0.42) GSK3BPTGS2PTGS1PKM
SCHEMBL4464159 0.81 MAPT (0.45) GSK3BPTGS2PTGS1CYP1A2CYP2C19
SCHEMBL4464157 0.81 MAPT (0.45) GSK3BPTGS2PTGS1CYP1A2CYP2C19
SCHEMBL4478445 0.75 DYRK1A (0.43) PTGS2ALDH1A1KMT2A
SCHEMBL14709967 0.74 PTGS2 (0.44) GSK3BPTGS2PTGS1PKMKDM4E
SCHEMBL14709966 0.73 RAB9A (0.47) GSK3BPTGS2PTGS1PKMMEN1
SCHEMBL5455747 0.73 PTGS1 (0.57) GSK3BPTGS2PTGS1KDM4EMEN1

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 1/4885PTGS2 4182/4885PTGS1 4101/4885

“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.