SCHEMBL22380353

SCHEMBL22380353

O=C(Nc1cn2cc(-c3cc[nH]n3)ccc2n1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.55
MAP4K1 Q92918 6/20 0.53
ABL1 P00519 8/20 0.51
RIPK1 Q13546 1/20 0.45

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
SCHEMBL22362870 0.87 LRRK2 (0.65) LRRK2ABL1
SCHEMBL22362891 0.87 LRRK2 (0.65) LRRK2ABL1
SCHEMBL31119596 0.86 MAP4K1 (0.56) LRRK2MAP4K1ABL1RIPK1
SCHEMBL22363058 0.86 MAP4K1 (0.56) LRRK2MAP4K1ABL1RIPK1
SCHEMBL17066012 0.80 LRRK2 (0.52) LRRK2MAP4K1ABL1RIPK1
SCHEMBL17066016 0.79 LRRK2 (0.53) LRRK2MAP4K1ABL1
SCHEMBL22380022 0.79 LRRK2 (0.58) LRRK2MAP4K1ABL1
SCHEMBL17073819 0.78 KDM5B (0.51) LRRK2MAP4K1ABL1RIPK1
SCHEMBL22362816 0.77 MAP4K1 (0.59) LRRK2MAP4K1ABL1RIPK1
SCHEMBL17066094 0.77 LRRK2 (0.51) LRRK2MAP4K1ABL1

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-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2020-08-27 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-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT LRRK2 82/4885MAP4K1 969/4885ABL1 531/4885

“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.