SCHEMBL4479371

SCHEMBL4479371

CC(=O)c1c(-c2cccc(C(F)(F)F)c2)nn2nc(C)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.50
ADORA2A P29274 1/20 0.46
CDK2 P24941 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
XDH P47989 1/20 0.42
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4474537 0.85 PTGS2 (0.41) GSK3BCDK2TRPV1ALDH1A1SMN1; SMN2
SCHEMBL4479726 0.83 ALDH1A1 (0.50) GSK3BADORA2ACDK2TRPV1XDH
SCHEMBL4479731 0.83 ALDH1A1 (0.50) GSK3BADORA2ACDK2TRPV1XDH
SCHEMBL4488848 0.76 PTGS2 (0.55) GSK3BCSNK1DCSNK1EALDH1A1
SCHEMBL3442008 0.70 TRPA1 (0.45) ADORA2AXDHCSNK1DCSNK1EALDH1A1
SCHEMBL4486068 0.70 GSK3B (0.73) GSK3BCDK2
SCHEMBL4474200 0.70 PTGS2 (0.42) GSK3BTRPV1
SCHEMBL4477514 0.69 GAA (0.42) GSK3BALDH1A1KDM4EHPGDTDP1
SCHEMBL4477520 0.69 GAA (0.42) GSK3BALDH1A1KDM4EHPGDTDP1
SCHEMBL6205783 0.68 ALDH1A1 (0.50) GSK3BTRPV1CSNK1DCSNK1EALDH1A1

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 1/4885ADORA2A 3582/4885CDK2 91/4885

“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.