SCHEMBL2105046

SCHEMBL2105046

O=c1[nH]c2cnc3[nH]cnc3c2n1[C@H]1CCCC[C@H]1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.47
JAK3 P52333 19/20 0.47
JAK1 P23458 17/20 0.47
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL2104124 0.84 JAK2 (0.67) JAK2JAK3JAK1
SCHEMBL2103583 0.81 JAK2 (0.72) JAK2JAK3JAK1
SCHEMBL2105160 0.81 JAK2 (0.72) JAK2JAK3JAK1
SCHEMBL13398221 0.76 JAK2 (0.51) JAK2JAK3JAK1
SCHEMBL12876025 0.74 JAK2 (0.47) JAK2JAK3JAK1ADORA3ADORA2B
SCHEMBL12904689 0.71 JAK2 (0.51) JAK2JAK3JAK1ADORA3ADORA2B
SCHEMBL2105194 0.70 JAK2 (0.58) JAK2JAK3JAK1
SCHEMBL13398309 0.70 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL12904232 0.69 JAK2 (0.42) JAK2JAK3JAK1
SCHEMBL13398151 0.69 JAK2 (0.49) JAK2JAK3JAK1

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 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.