SCHEMBL2105789

SCHEMBL2105789

CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1N[C@H]1CCCC[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.46
JAK1 P23458 5/20 0.42
JAK3 P52333 5/20 0.42
JAK2 O60674 1/20 0.40
POLB P06746 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL2105089 0.90 JAK3 (0.42) PDE4BJAK1JAK3JAK2
SCHEMBL1933112 0.89 PDE4B (0.58) PDE4BJAK1JAK3POLBADORA1
SCHEMBL24630843 0.84 PDE4B (0.42) PDE4B
SCHEMBL10099302 0.83 JAK2 (0.34) JAK1JAK3JAK2
SCHEMBL10099305 0.83 JAK2 (0.34) JAK1JAK3JAK2
SCHEMBL10099300 0.83 PDE4B (0.42) PDE4BJAK1JAK3JAK2POLB
SCHEMBL22620168 0.81 JAK3 (0.49) PDE4BJAK1JAK3POLB
SCHEMBL22620101 0.81 JAK3 (0.49) PDE4BJAK1JAK3POLB
SCHEMBL22955030 0.80 PDE4B (0.42) PDE4BJAK1JAK3POLBADORA1
SCHEMBL10099170 0.80 PDE4B (0.55) PDE4BJAK1JAK3JAK2ADORA1

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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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 (2 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 PDE4B 2241/4885JAK1 2/4885JAK3 3/4885
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 PDE4B 3083/4885JAK1 3/4885JAK3 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.