SCHEMBL2102278

SCHEMBL2102278

N#CCC(=O)N1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 1.00
JAK1 P23458 15/20 1.00
JAK2 O60674 13/20 1.00
KCNH2 Q12809 1/20 0.65
TYK2 P29597 1/20 0.64

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
SCHEMBL2101916 0.90 JAK3 (0.81) JAK3JAK1JAK2
SCHEMBL2106458 0.86 JAK3 (0.83) JAK3JAK1JAK2KCNH2TYK2
SCHEMBL12888401 0.85 JAK3 (0.74) JAK3JAK1JAK2KCNH2TYK2
SCHEMBL12876141 0.85 JAK3 (0.74) JAK3JAK1JAK2KCNH2TYK2
SCHEMBL2104855 0.84 JAK2 (1.00) JAK3JAK1JAK2KCNH2TYK2
SCHEMBL2105704 0.82 JAK2 (0.80) JAK3JAK1JAK2KCNH2TYK2
SCHEMBL10125086 0.82 JAK3 (0.72) JAK3JAK1JAK2
SCHEMBL12348203 0.82 JAK3 (0.72) JAK3JAK1JAK2
SCHEMBL2104028 0.81 JAK2 (1.00) JAK3JAK1JAK2KCNH2TYK2
SCHEMBL20956067 0.81 JAK3 (0.80) JAK3JAK1JAK2

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.