SCHEMBL10325568

SCHEMBL10325568

CN(CCC#N)C(=O)C1(C(=O)N2CCN(c3ncnc4c3CCN4)CC23CC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.45
AKT1S1 Q96B36 6/20 0.38
LCK P06239 5/20 0.36
JAK2 O60674 2/20 0.36

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
SCHEMBL1077975 0.81 JAK3 (0.69) JAK3LCKJAK2
SCHEMBL10324840 0.77 AKT1S1 (0.39) JAK3AKT1S1LCKJAK2
SCHEMBL1050610 0.73 JAK3 (0.68) JAK3LCKJAK2
SCHEMBL10325519 0.72 JAK3 (0.52) JAK3AKT1S1
SCHEMBL10325843 0.69 JAK3 (0.41) JAK3AKT1S1JAK2
SCHEMBL12568215 0.66 JAK3 (0.65) JAK3LCKJAK2
SCHEMBL12568381 0.66 JAK3 (0.66) JAK3LCKJAK2
SCHEMBL12568139 0.65 JAK3 (0.66) JAK3LCKJAK2
SCHEMBL16106114 0.65 JAK3 (0.67) JAK3LCKJAK2
SCHEMBL10324911 0.64 JAK3 (0.39) JAK3LCKJAK2

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 1359/4885LCK 22/4885

“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.