SCHEMBL21400546

SCHEMBL21400546

CN(c1ncnc2[nH]ccc12)C1CCC2(CC1)CCN(C(=O)c1cccnc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.67
▸ JAK2 O60674 15/20 0.67
▸ JAK3 P52333 11/20 0.50
▸ TYK2 P29597 2/20 0.49

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
SCHEMBL21400283 0.91 JAK1 (0.68) JAK1JAK2JAK3TYK2
SCHEMBL21383328 0.87 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL21382971 0.85 JAK1 (0.70) JAK1JAK2JAK3TYK2
SCHEMBL21382768 0.84 JAK1 (0.70) JAK1JAK2JAK3TYK2
SCHEMBL29708153 0.84 JAK1 (0.70) JAK1JAK2JAK3TYK2
SCHEMBL21382792 0.84 JAK1 (0.50) JAK1JAK2JAK3TYK2
SCHEMBL21400298 0.84 JAK1 (0.68) JAK1JAK2JAK3TYK2
SCHEMBL21382952 0.84 JAK1 (0.54) JAK1JAK2JAK3TYK2
SCHEMBL21382712 0.84 JAK1 (0.65) JAK1JAK2JAK3TYK2
SCHEMBL21383219 0.84 JAK1 (0.69) JAK1JAK2JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768272-B1 JAK INHIBITORS LIAO XIBIN (US) 2025-07-30 — — EP claimed
US-11365188-B2 JAK inhibitors LIAO XIBIN (US) 2022-06-21 — — US claimed
US-20210053943-A1 JAK INHIBITORS LIAO XIBIN (US) 2021-02-25 — — US claimed
EP-3768272-B1 JAK INHIBITORS LIAO XIBIN (US) 2025-07-30 — — EP disclosed
US-11365188-B2 JAK inhibitors LIAO XIBIN (US) 2022-06-21 — — US disclosed
US-11365188-B2 JAK inhibitors LIAO XIBIN (US) 2022-06-21 — — US disclosed
US-20210053943-A1 JAK INHIBITORS LIAO XIBIN (US) 2021-02-25 — — US disclosed
US-20210053943-A1 JAK INHIBITORS LIAO XIBIN (US) 2021-02-25 — — US disclosed
WO-2019182924-A1 JAK INHIBITORS LIAO XIBIN (US) 2019-09-26 — — 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 (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-11365188-B2 JAK inhibitors JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 3/4885
US-20210053943-A1 JAK INHIBITORS JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 3/4885

“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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