SCHEMBL2104744

SCHEMBL2104744

NC(=O)c1cnc2[nH]ccc2c1NCC1CCCCN1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.53
JAK3 P52333 18/20 0.53
JAK1 P23458 15/20 0.53
TYK2 P29597 3/20 0.52
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2105762 0.97 JAK2 (0.55) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL2104807 0.83 JAK2 (0.57) JAK2JAK3JAK1TYK2
SCHEMBL2102214 0.81 JAK2 (0.61) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL2104120 0.79 JAK2 (0.58) JAK2JAK3JAK1TYK2
SCHEMBL2104114 0.79 JAK2 (0.58) JAK2JAK3JAK1TYK2
SCHEMBL2104898 0.77 JAK1 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL29971504 0.75 JAK3 (0.54) JAK2JAK3JAK1TYK2
SCHEMBL29971712 0.75 JAK3 (0.49) JAK2JAK3JAK1TYK2
SCHEMBL2104992 0.74 JAK2 (0.63) JAK2JAK3JAK1TYK2KCNH2
SCHEMBL2105775 0.74 JAK2 (0.77) JAK2JAK3JAK1TYK2KCNH2

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 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
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO 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 JAK2 2/4885JAK3 1/4885JAK1 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.