SCHEMBL2102288

SCHEMBL2102288

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 1.00
JAK2 O60674 19/20 1.00
JAK1 P23458 16/20 1.00
TYK2 P29597 2/20 0.68
MAP4K3 Q8IVH8 1/20 0.54
MAP4K5 Q9Y4K4 1/20 0.54

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
SCHEMBL13398277 0.92 JAK2 (0.85) JAK3JAK2JAK1TYK2
SCHEMBL2104138 0.89 JAK2 (0.80) JAK3JAK2JAK1TYK2
SCHEMBL2105157 0.88 JAK1 (0.90) JAK3JAK2JAK1TYK2
SCHEMBL2106261 0.88 JAK1 (0.90) JAK3JAK2JAK1TYK2
SCHEMBL12833306 0.87 JAK3 (0.77) JAK3JAK2JAK1TYK2MAP4K3
SCHEMBL2105305 0.87 JAK2 (0.77) JAK3JAK2JAK1TYK2
SCHEMBL2102281 0.87 JAK2 (0.77) JAK3JAK2JAK1TYK2
SCHEMBL3314602 0.87 JAK2 (0.80) JAK3JAK2JAK1
SCHEMBL3316455 0.87 JAK2 (0.80) JAK3JAK2JAK1
SCHEMBL13398165 0.86 JAK2 (0.76) JAK3JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US claimed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US claimed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK2 2/4885JAK1 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.