SCHEMBL4482406

SCHEMBL4482406

CN(C)C=CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)nn2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.39
PTGS2 P35354 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS1 P23219 3/20 0.36
TRPV1 Q8NER1 3/20 0.36
GSK3B P49841 2/20 0.35

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
SCHEMBL4482399 1.00 ALDH1A1 (0.42) ALDH1A1GAAPOLBPTGS2TDP1
SCHEMBL6205786 0.89 ALDH1A1 (0.50) ALDH1A1GAAPOLBPTGS2TDP1
SCHEMBL6205783 0.89 ALDH1A1 (0.50) ALDH1A1GAAPOLBPTGS2TDP1
SCHEMBL4469564 0.88 PTGS2 (0.51) ALDH1A1POLBPTGS2TDP1HTT
SCHEMBL4469574 0.88 PTGS2 (0.51) ALDH1A1POLBPTGS2TDP1HTT
SCHEMBL4485374 0.87 POLB (0.52) ALDH1A1GAAPOLBPTGS2TDP1
SCHEMBL4467387 0.87 POLB (0.52) ALDH1A1GAAPOLBPTGS2TDP1
SCHEMBL4464159 0.86 MAPT (0.45) ALDH1A1GAAPOLBPTGS2TDP1
SCHEMBL4464157 0.86 MAPT (0.45) ALDH1A1GAAPOLBPTGS2TDP1
SCHEMBL4475955 0.84 PTGS1 (0.53) ALDH1A1GAAPOLBPTGS2TDP1

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 4212/4885GAA 2919/4885POLB 2886/4885

“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.