SCHEMBL10325843

SCHEMBL10325843

CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4c3CCN4)CC23CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.41
▸ AKT1S1 Q96B36 7/20 0.36
▸ AKT1 P31749 2/20 0.34
▸ AKT2 P31751 2/20 0.34
▸ AKT3 Q9Y243 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33

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
SCHEMBL10325563 0.85 JAK3 (0.38) JAK3AKT1S1JAK1
SCHEMBL1046513 0.79 JAK3 (0.62) JAK3AKT1AKT2AKT3ROCK2
SCHEMBL10325519 0.76 JAK3 (0.52) JAK3AKT1S1AKT1AKT2AKT3
SCHEMBL1046781 0.70 JAK3 (0.63) JAK3JAK2JAK1TYK2
SCHEMBL1048629 0.70 JAK3 (0.60) JAK3
SCHEMBL1047867 0.70 JAK3 (0.59) JAK3
SCHEMBL1045079 0.70 JAK3 (0.59) JAK3
SCHEMBL1046517 0.69 JAK3 (0.62) JAK3
SCHEMBL10325568 0.69 JAK3 (0.45) JAK3AKT1S1JAK2
SCHEMBL1050401 0.69 JAK3 (0.60) JAK3

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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 — — 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885AKT1S1 1359/4885AKT1 290/4885

“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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