SCHEMBL2054863

SCHEMBL2054863

O=c1[nH]c2cnc3[nH]ccc3c2n1Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.54
JAK3 P52333 15/20 0.54
JAK1 P23458 14/20 0.54
DAO P14920 1/20 0.42
BRDT Q58F21 1/20 0.41
TYK2 P29597 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2054902 0.85 JAK2 (0.55) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL2054903 0.85 JAK2 (0.55) JAK2JAK3JAK1ALDH1A1
SCHEMBL14628869 0.85 JAK2 (0.55) JAK2JAK3JAK1TYK2
SCHEMBL2054899 0.83 JAK2 (0.61) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL2054897 0.83 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054915 0.83 JAK2 (0.53) JAK2JAK3JAK1
SCHEMBL2054925 0.83 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054884 0.83 JAK2 (0.53) JAK2JAK3JAK1ALDH1A1
SCHEMBL2054922 0.83 JAK2 (0.53) JAK2JAK3JAK1TYK2
SCHEMBL2054927 0.83 JAK2 (0.53) JAK2JAK3JAK1TYK2

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 4 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
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US 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.