SCHEMBL2102277

SCHEMBL2102277

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2cccc([N+](=O)[O-])c2)c2cnc3[nH]ccc3c21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.48
JAK2 O60674 11/20 0.48
JAK3 P52333 10/20 0.48
TNIK Q9UKE5 1/20 0.42
KMT2A Q03164 3/20 0.42
TYK2 P29597 2/20 0.40
ALK Q9UM73 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
PIK3R1 P27986 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
SCHEMBL2055084 0.90 JAK1 (0.51) JAK1JAK2JAK3KMT2ATYK2
SCHEMBL2106069 0.87 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL2105308 0.87 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL2104864 0.86 JAK1 (0.56) JAK1JAK2JAK3TYK2
Hydrochloric Acid SCHEMBL2106292 0.86 JAK1 (0.49) JAK1JAK2JAK3TNIKTYK2
SCHEMBL2055179 0.85 JAK1 (0.47) JAK1JAK2JAK3TNIKTYK2
SCHEMBL2055181 0.85 JAK3 (0.49) JAK1JAK2JAK3TNIKTYK2
SCHEMBL2055125 0.84 JAK1 (0.48) JAK1JAK2JAK3TNIKTYK2
SCHEMBL2104034 0.83 JAK1 (0.47) JAK1JAK2JAK3TNIKTYK2
SCHEMBL2055085 0.83 JAK1 (0.47) JAK1JAK2JAK3TYK2

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 JAK1 3/4885JAK2 2/4885JAK3 1/4885

“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.