SCHEMBL4485374

SCHEMBL4485374

CN(C)C=CC(=O)c1c(-c2ccccc2)nn2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
PTGS2 P35354 4/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.39
HSP90AA1 P07900 2/20 0.38
PTGS1 P23219 2/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
GAA P10253 1/20 0.37
PADI4 Q9UM07 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
SCHEMBL4467387 1.00 POLB (0.52) POLBPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4464157 0.90 MAPT (0.45) POLBPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4464159 0.90 MAPT (0.45) POLBPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4469564 0.90 PTGS2 (0.51) POLBPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4469574 0.90 PTGS2 (0.51) POLBPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4475965 0.88 PTGS1 (0.53) POLBPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4475955 0.88 PTGS1 (0.53) POLBPTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4482406 0.87 ALDH1A1 (0.42) POLBPTGS2ALDH1A1TDP1HTT
SCHEMBL4482399 0.87 ALDH1A1 (0.42) POLBPTGS2ALDH1A1TDP1HTT
SCHEMBL6205786 0.84 ALDH1A1 (0.50) POLBPTGS2ALDH1A1MAPTTDP1

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 POLB 2886/4885PTGS2 4182/4885ALDH1A1 4212/4885

“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.