SCHEMBL22001611

SCHEMBL22001611

CNS(=O)(=O)C1CCC(N(C)c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 20/20 0.74
▸ JAK2 O60674 15/20 0.74
▸ TYK2 P29597 7/20 0.74
▸ JAK3 P52333 10/20 0.72

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
SCHEMBL22001934 0.90 JAK1 (0.84) JAK1JAK2TYK2JAK3
SCHEMBL22001619 0.89 JAK1 (0.71) JAK1JAK2TYK2JAK3
SCHEMBL22001506 0.89 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL22001734 0.89 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL22001505 0.89 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL22001665 0.88 JAK1 (0.70) JAK1JAK2TYK2JAK3
SCHEMBL22001730 0.88 JAK1 (0.80) JAK1JAK2TYK2JAK3
SCHEMBL22001618 0.88 JAK1 (0.80) JAK1JAK2TYK2JAK3
SCHEMBL22349562 0.87 JAK1 (0.67) JAK1JAK2TYK2JAK3
SCHEMBL21904682 0.85 JAK1 (0.64) JAK1JAK2TYK2JAK3

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-10744136-B2 Sulfonamide derivatives as JAK inhibitors AVISTA PHARMA SOLUTIONS, INC. (US) 2020-08-18 — — US disclosed
US-20200138811-A1 Chemical Compounds AVISTA PHARMA SOLUTIONS INC (US) 2020-05-07 — — 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 (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-20200138811-A1 Chemical Compounds JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885TYK2 50/4885
US-10744136-B2 Sulfonamide derivatives as JAK inhibitors JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885TYK2 26/4885

“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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