SCHEMBL23668179

SCHEMBL23668179

COc1nn(C)cc1Nc1ncc(F)c(-c2ccccc2O)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.52
▸ JAK1 P23458 17/20 0.52
▸ JAK2 O60674 12/20 0.52
▸ JAK3 P52333 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL23668184 0.88 JAK1 (0.54) LRRK2JAK1JAK2
SCHEMBL21808611 0.83 LRRK2 (0.54) LRRK2JAK1JAK2JAK3
SCHEMBL21870754 0.81 LRRK2 (0.61) LRRK2JAK1JAK2
SCHEMBL30810130 0.81 LRRK2 (0.61) LRRK2JAK1JAK2
SCHEMBL21870747 0.78 LRRK2 (0.60) LRRK2JAK1JAK2
SCHEMBL31470481 0.78 LRRK2 (0.51) LRRK2JAK1JAK2JAK3KCNH2
SCHEMBL24474969 0.77 JAK1 (0.68) JAK1JAK2JAK3KCNH2
SCHEMBL24474769 0.77 JAK1 (0.66) JAK1JAK2
SCHEMBL24474853 0.77 JAK1 (0.65) JAK1JAK2JAK3KCNH2
SCHEMBL26078109 0.74 JAK1 (0.67) JAK1JAK2JAK3KCNH2

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-20210371415-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-12-02 — — US disclosed
EP-3854793-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-07-28 — — EP 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-20210371415-A1 AROMATIC HETEROCYCLIC COMPOUND WITH KINASE INHIBITORY ACTIVITY JAK1, JAK2, JAK3 LRRK2 459/4885JAK1 1/4885JAK2 2/4885

“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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