SCHEMBL5116625

SCHEMBL5116625

CC(OS(C)(=O)=O)c1cn(-c2cccc(Cl)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
STS P08842 1/20 0.46
FLT3 P36888 1/20 0.45
GSK3B P49841 1/20 0.45
RXRA P19793 6/20 0.43
GRIN1 Q05586 6/20 0.43
GRIN2B Q13224 6/20 0.43

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
SCHEMBL10257033 0.81 NOTUM (0.56) NOTUMSTSFLT3GSK3BRXRA
SCHEMBL5483071 0.81 NR1I2 (0.37) NOTUMRXRAGRIN1GRIN2B
SCHEMBL5120463 0.79 NOTUM (0.57) NOTUMSTSFLT3GSK3BRXRA
SCHEMBL2583096 0.76 NOTUM (0.56) NOTUMSTSFLT3GSK3BRXRA
SCHEMBL2889439 0.75 GRM5 (0.50) NOTUMSTS
SCHEMBL3113748 0.75 GRM5 (0.50) NOTUMSTS
SCHEMBL5481160 0.73 NOTUM (0.61) NOTUMSTSRXRAGRIN1GRIN2B
SCHEMBL5711666 0.72 NOTUM (0.59) NOTUMSTSRXRAGRIN1GRIN2B
SCHEMBL31636683 0.71 NOTUM (0.57) NOTUMSTSFLT3GSK3BRXRA
SCHEMBL16943864 0.70 AOC3 (0.42)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2007021573-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US 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 (2 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-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists GRM5, GRM1, GRM2 NOTUM 3794/4885STS 3337/4885FLT3 2424/4885
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM2 NOTUM 3794/4885STS 3337/4885FLT3 2424/4885

“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.