SCHEMBL13045614

SCHEMBL13045614

N#CCC([C@@H]1CCC(=O)C1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.77
JAK1 P23458 14/20 0.77
JAK3 P52333 7/20 0.77
RET P07949 3/20 0.77
ROCK1 Q13464 3/20 0.77
TYK2 P29597 3/20 0.77
DAPK3 O43293 2/20 0.77
PAK4 O96013 2/20 0.77
ABL1 P00519 2/20 0.77
LTK P29376 2/20 0.77
CSNK1A1 P48729 2/20 0.77
CLK2 P49760 2/20 0.77
TNK2 Q07912 2/20 0.77
DYRK1A Q13627 2/20 0.77
IKBKE Q14164 2/20 0.77
NTRK3 Q16288 2/20 0.77
NTRK2 Q16620 2/20 0.77
LRRK2 Q5S007 2/20 0.77
TAOK1 Q7L7X3 2/20 0.77
CAMK1D Q8IU85 2/20 0.77

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
SCHEMBL13045623 1.00 JAK2 (0.77) JAK2JAK1JAK3RETROCK1
SCHEMBL1603525 1.00 JAK2 (0.77) JAK2JAK1JAK3RETROCK1
Trifluoroacetic Acid SCHEMBL1604120 0.93 JAK2 (0.67) JAK2JAK1JAK3RETROCK1
Trifluoroacetic Acid SCHEMBL1603202 0.93 JAK2 (0.67) JAK2JAK1JAK3RETROCK1
SCHEMBL98692 0.89 JAK2 (0.92) JAK2JAK1JAK3RETROCK1
SCHEMBL3008701 0.89 JAK2 (0.92) JAK2JAK1JAK3RETROCK1
SCHEMBL21665753 0.88 JAK2 (0.59) JAK2JAK1JAK3RETROCK1
SCHEMBL2250179 0.87 JAK2 (0.96) JAK2JAK1JAK3RETROCK1
Ruxolitinib SCHEMBL101279 0.87 JAK2 (1.00) JAK2JAK1JAK3RETROCK1
SCHEMBL2250183 0.87 JAK2 (0.96) JAK2JAK1JAK3RETROCK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8889697-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 CORPORATION (US) 2014-11-18 US disclosed
US-8889697-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 CORPORATION (US) 2014-11-18 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-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 (3 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-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

“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.