SCHEMBL22488741

SCHEMBL22488741

O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.81
▸ FOXO1 Q12778 13/20 0.63
▸ FLT3 P36888 2/20 0.58
▸ PDE10A Q9Y233 3/20 0.56
▸ AURKA O14965 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ LRRK2 Q5S007 1/20 0.50

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
SCHEMBL22488743 0.92 ACHE (0.84) ACHEFOXO1FLT3PDE10AAURKA
SCHEMBL25428311 0.89 ACHE (0.79) ACHEFOXO1FLT3PDE10AAURKA
SCHEMBL30753995 0.89 ACHE (0.79) ACHEFOXO1FLT3PDE10AAURKA
SCHEMBL29523972 0.89 ACHE (0.75) ACHEFOXO1FLT3PDE10AAURKA
SCHEMBL25428524 0.89 ACHE (0.75) ACHEFOXO1FLT3PDE10AAURKA
SCHEMBL26970669 0.88 ACHE (0.65) ACHEFOXO1PDE10A
SCHEMBL30753996 0.88 ACHE (0.65) ACHEFOXO1PDE10A
SCHEMBL25426824 0.87 ACHE (0.82) ACHEFOXO1FLT3PDE10AAURKA
SCHEMBL29523751 0.87 ACHE (0.82) ACHEFOXO1FLT3PDE10AAURKA
Hydrochloric Acid SCHEMBL25427213 0.87 ACHE (0.78) ACHEFOXO1FLT3PDE10AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185797-A1 SELECTIVE FOXO INHIBITORS FOR TREATMENT OF DIABETES AND OTHER DISORDERS RELATED TO IMPAIRED PANCREATIC FUNCTION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-06-16 — — US disclosed
WO-2020198351-A1 SELECTIVE FOXO INHIBITORS FOR TREATMENT OF DIABETES AND OTHER DISORDERS RELATED TO IMPAIRED PANCREATIC FUNCTION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-10-01 — — 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-20220185797-A1 SELECTIVE FOXO INHIBITORS FOR TREATMENT OF DIABETES AND OTHER DISORDERS RELATED TO IMPAIRED PANCREATIC FUNCTION FOXO1, FOXO3, FOXK1 ACHE 4176/4885FOXO1 1/4885FLT3 3438/4885

“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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