SCHEMBL23819457

SCHEMBL23819457

CCCC[C@H](CC)Nc1c(C(=O)OCC)cnc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.54
JAK1 P23458 17/20 0.54
NUDT1 P36639 1/20 0.52

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
SCHEMBL2104803 0.81 JAK3 (0.58) JAK3JAK1NUDT1
SCHEMBL22954413 0.80 JAK3 (0.64) JAK3JAK1NUDT1
SCHEMBL2103898 0.79 JAK3 (0.56) JAK3JAK1NUDT1
SCHEMBL2105342 0.79 JAK3 (0.56) JAK3JAK1NUDT1
SCHEMBL13636626 0.77 JAK3 (0.37) JAK3JAK1NUDT1
SCHEMBL2104887 0.76 JAK2 (0.54) JAK3JAK1
SCHEMBL29477133 0.74 NUDT1 (0.65) JAK3JAK1NUDT1
SCHEMBL20990227 0.74 NUDT1 (0.65) JAK3JAK1NUDT1
SCHEMBL566667 0.74 NUDT1 (0.65) JAK3JAK1NUDT1
SCHEMBL22954329 0.73 JAK3 (0.85) JAK3JAK1

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-20210284637-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS, INC. 2021-09-16 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-20210284637-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885NUDT1 2125/4885

“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.