SCHEMBL12801445

SCHEMBL12801445

CNc1c(NCN)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 3/20 0.32
▸ GRIN3B O60391 3/20 0.32
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2A Q12879 3/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ GRIN2C Q14957 3/20 0.32
▸ GRIN3A Q8TCU5 3/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL409685 0.80 — —
SCHEMBL463072 0.78 — —
SCHEMBL24485658 0.77 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18121422 0.75 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19956902 0.73 KDM4E (0.38) ACHE
SCHEMBL18665161 0.72 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19956892 0.72 — —
SCHEMBL23131686 0.72 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21230838 0.70 GPR84 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21230836 0.70 ACHE (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 — — 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 (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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR GRIN2D 2206/4885GRIN3B 333/4885GRIN1 500/4885

“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.

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