SCHEMBL5120463

SCHEMBL5120463

CC(O)c1cn(-c2cccc(Cl)c2)nn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.57
FLT3 P36888 1/20 0.51
GSK3B P49841 1/20 0.51
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
STS P08842 1/20 0.43
RXRA P19793 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
AMY1A P0DUB6 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GPR142 Q7Z601 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
SCHEMBL10257033 0.88 NOTUM (0.56) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL2583096 0.82 NOTUM (0.56) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL9634370 0.81 NOTUM (0.50) NOTUM
SCHEMBL23451552 0.81 NOTUM (0.56) NOTUMRXRAGRIN1GRIN2B
SCHEMBL5116625 0.79 NOTUM (0.47) NOTUMFLT3GSK3BSTSRXRA
SCHEMBL31636683 0.77 NOTUM (0.57) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL10290183 0.76 NOTUM (0.60) NOTUMFLT3GSK3BKEAP1NFE2L2
SCHEMBL5128529 0.75 NOTUM (0.54) NOTUMRXRAGRIN1GRIN2B
SCHEMBL27983551 0.74 NOTUM (0.61) NOTUMFLT3GSK3BKMT2A
SCHEMBL5487663 0.73 KDM5B (0.44) NOTUMFLT3GSK3BRXRAGRIN1

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 3794/4885FLT3 2424/4885GSK3B 4323/4885
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM2 NOTUM 3794/4885FLT3 2424/4885GSK3B 4323/4885

“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.