SCHEMBL1611082

SCHEMBL1611082

N#CC(O)C(C1CCCC1)n1cc(-c2nc(O)nc3[nH]ccc23)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.53
JAK1 P23458 11/20 0.53
JAK3 P52333 3/20 0.53
DAPK3 O43293 2/20 0.53
PAK4 O96013 2/20 0.53
ABL1 P00519 2/20 0.53
RET P07949 2/20 0.53
LTK P29376 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CLK2 P49760 2/20 0.53
TNK2 Q07912 2/20 0.53
ROCK1 Q13464 2/20 0.53
DYRK1A Q13627 2/20 0.53
IKBKE Q14164 2/20 0.53
NTRK3 Q16288 2/20 0.53
NTRK2 Q16620 2/20 0.53
LRRK2 Q5S007 2/20 0.53
TAOK1 Q7L7X3 2/20 0.53
CAMK1D Q8IU85 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53

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
SCHEMBL1612829 0.87 JAK2 (0.70) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1612129 0.83 JAK2 (0.73) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1610934 0.77 JAK2 (0.57) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1611844 0.76 JAK2 (0.58) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1612131 0.75 JAK2 (0.57) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1611948 0.75 JAK2 (0.60) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1612738 0.74 JAK2 (0.47) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1612847 0.74 JAK2 (0.49) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL19149201 0.73 JAK2 (0.71) JAK2JAK1JAK3DAPK3PAK4
SCHEMBL1611332 0.73 JAK2 (0.48) JAK2JAK1JAK3DAPK3PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105541847-A Hydroxyl, keto, and glucuronide derivatives of 3-(4-(7h-pyrrolo[2,3-d] pyrimidin-4-yl)-1h-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE CORP 2016-05-04 CN claimed
US-20140378400-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION 2014-12-25 US claimed
EP-2486041-B1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORP (US) 2013-08-14 EP claimed
US-8486902-B2 Hydroxyl, keto, and glucuronide derivatives of 3-(4-(7H-pyrrolo[2,3-d] pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile INCYTE CORPORATION (US) 2013-07-16 US claimed
EP-2486041-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE Incyte Corporation (US) 2012-08-15 EP claimed
CN-102596960-A Hydroxy, keto, and glucuronide derivatives of 3- (4- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) -1H-pyrazol-1-yl) -3-cyclopentylpropanenitrile INCYTE CORP 2012-07-18 CN claimed
US-20110086810-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d] PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION (US) 2011-04-14 US claimed
WO-2011044481-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE INCYTE CORPORATION (US) 2011-04-14 WO claimed

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-20110086810-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d] PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE UGT1A4, UGT1A3, UGT1A1 JAK2 3506/4885JAK1 2614/4885JAK3 2001/4885
US-20140378400-A1 HYDROXYL, KETO, AND GLUCURONIDE DERIVATIVES OF 3-(4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-3-CYCLOPENTYLPROPANENITRILE UGT1A4, UGT1A3, UGT1A1 JAK2 3506/4885JAK1 2614/4885JAK3 2001/4885

“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.