SCHEMBL2105089

SCHEMBL2105089

C[C@@H]1CCCC[C@@H]1Nc1c(C(=O)O)cnc2c1ccn2COCC[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.42
JAK1 P23458 3/20 0.42
JAK2 O60674 1/20 0.42
PDE4B Q07343 6/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.33
SYK P43405 3/20 0.33
KLKB1 P03952 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2105789 0.90 PDE4B (0.46) JAK3JAK1JAK2PDE4B
SCHEMBL2315548 0.88 PDE4B (0.44) PDE4B
SCHEMBL10099305 0.86 JAK2 (0.34) JAK3JAK1JAK2MAPT
SCHEMBL10099302 0.86 JAK2 (0.34) JAK3JAK1JAK2MAPTDGAT1
SCHEMBL2358881 0.83 MAPT (0.37) MAPTDGAT1KLKB1
SCHEMBL24630844 0.82 PDE4B (0.35) JAK1PDE4BMAPTDGAT1KLKB1
SCHEMBL10099287 0.82 JAK2 (0.31) JAK3JAK1JAK2
SCHEMBL14697275 0.81 PDE4B (0.44) PDE4B
SCHEMBL14697520 0.80 PDE4B (0.46) JAK3JAK1JAK2PDE4B
SCHEMBL14708550 0.80 JAK1 (0.32) JAK3JAK1JAK2PDE4BDGAT1

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.