SCHEMBL2106458

SCHEMBL2106458

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1Nc1c(C(N)=O)cnc2[nH]ccc12

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.83
JAK1 P23458 16/20 0.83
JAK2 O60674 8/20 0.75
KCNH2 Q12809 1/20 0.59
TYK2 P29597 1/20 0.57

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
SCHEMBL20956152 0.92 JAK3 (0.84) JAK3JAK1JAK2TYK2
SCHEMBL30583663 0.92 JAK3 (0.84) JAK3JAK1JAK2TYK2
SCHEMBL20990374 0.92 JAK3 (0.84) JAK3JAK1JAK2TYK2
SCHEMBL20956271 0.91 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL20956015 0.91 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL30583712 0.91 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL30583689 0.91 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL20956237 0.88 JAK3 (0.86) JAK3JAK1JAK2TYK2
SCHEMBL20956290 0.88 JAK3 (1.00) JAK3JAK1
SCHEMBL20956045 0.88 JAK3 (0.86) JAK3JAK1JAK2TYK2

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 3 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 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 1/4885JAK1 3/4885JAK2 2/4885

“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.