SCHEMBL1603533

SCHEMBL1603533

C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)[C@H]4CC[C@H](O)C4)c3)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.46
JAK1 P23458 10/20 0.46
JAK3 P52333 4/20 0.46
ABL1 P00519 3/20 0.46
TYK2 P29597 3/20 0.46
DAPK3 O43293 2/20 0.46
PAK4 O96013 2/20 0.46
RET P07949 2/20 0.46
LTK P29376 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CLK2 P49760 2/20 0.46
TNK2 Q07912 2/20 0.46
ROCK1 Q13464 2/20 0.46
DYRK1A Q13627 2/20 0.46
IKBKE Q14164 2/20 0.46
NTRK3 Q16288 2/20 0.46
NTRK2 Q16620 2/20 0.46
LRRK2 Q5S007 2/20 0.46
TAOK1 Q7L7X3 2/20 0.46
CAMK1D Q8IU85 2/20 0.46

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
SCHEMBL1604065 1.00 JAK2 (0.46) JAK2JAK1JAK3ABL1TYK2
SCHEMBL12708665 1.00 JAK2 (0.46) JAK2JAK1JAK3ABL1TYK2
SCHEMBL1602689 1.00 JAK2 (0.46) JAK2JAK1JAK3ABL1TYK2
SCHEMBL1602830 1.00 JAK2 (0.46) JAK2JAK1JAK3ABL1TYK2
SCHEMBL3007470 0.94 JAK2 (0.51) JAK2JAK1JAK3ABL1TYK2
SCHEMBL13243713 0.94 JAK2 (0.51) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2998766 0.94 JAK2 (0.51) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2998337 0.94 JAK2 (0.51) JAK2JAK1JAK3ABL1TYK2
SCHEMBL101466 0.91 JAK2 (0.45) JAK2JAK1JAK3ABL1TYK2
SCHEMBL100234 0.91 JAK2 (0.46) JAK2JAK1JAK3ABL1TYK2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038404-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORP (US) 2020-02-06 US disclosed
US-20200038404-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORP (US) 2020-02-06 US disclosed
US-10463667-B2 Metabolites of the janus kinase inhibitor (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE INCORPORATION (US) 2019-11-05 US disclosed
US-10463667-B2 Metabolites of the janus kinase inhibitor (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE INCORPORATION (US) 2019-11-05 US disclosed
US-20170326144-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2017-11-16 US disclosed
US-20170326144-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2017-11-16 US disclosed
US-20170326144-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2017-11-16 US disclosed
US-20150164900-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2015-06-18 US disclosed
US-20150164900-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2015-06-18 US disclosed
US-20150164900-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2015-06-18 US disclosed
US-20110082159-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION (US) 2011-04-07 US disclosed
US-20110082159-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION (US) 2011-04-07 US disclosed
US-20110082159-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION (US) 2011-04-07 US disclosed
US-7834022-B2 enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-7834022-B2 enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-7834022-B2 enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease INCYTE CORPORATION (US) 2010-11-16 US disclosed
WO-2008157207-A2 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-LH-PYRAZOL-L-YL)-3- CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION (US) 2008-12-24 WO disclosed
US-20080312258-A1 enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease INCYTE CORPORATION (US) 2008-12-18 US disclosed
US-20080312258-A1 enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease INCYTE CORPORATION (US) 2008-12-18 US disclosed
US-20080312258-A1 enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease INCYTE CORPORATION (US) 2008-12-18 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 (6 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-20080312258-A1 enzyme inhibitor for treating immune-related diseases, skin disorders, myeloid proliferative disorders, cancer; allograft rejection or graft versus host disease MPST, JAK1, IL4I1 JAK2 53/4885JAK1 2/4885JAK3 17/4885
US-20200038404-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE JAK2, JAK3, JAK1 JAK2 1/4885JAK1 3/4885JAK3 2/4885
US-20110082159-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885JAK3 1/4885
US-20150164900-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE JAK2, JAK3, JAK1 JAK2 1/4885JAK1 3/4885JAK3 2/4885
US-20170326144-A1 METABOLITES OF THE JANUS KINASE INHIBITOR (R)-3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE JAK2, JAK3, JAK1 JAK2 1/4885JAK1 3/4885JAK3 2/4885
US-10463667-B2 Metabolites of the janus kinase inhibitor (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile JAK3, JAK1, JAK2 JAK2 3/4885JAK1 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.