SCHEMBL520958

SCHEMBL520958

Cc1cc(N)ccc1C1CCN(CC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.47
RAD52 P43351 1/20 0.46
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
TLR9 Q9NR96 5/20 0.39
TLR8 Q9NR97 5/20 0.39
TLR7 Q9NYK1 5/20 0.39
ALDH1A1 P00352 1/20 0.38
BTK Q06187 2/20 0.37

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
SCHEMBL27860633 0.86 DRD4 (0.44) DRD4RAD52DRD2DRD3ALDH1A1
SCHEMBL13723827 0.86 DRD4 (0.53) DRD4RAD52DRD2DRD3TLR9
SCHEMBL3436615 0.85 OPRL1 (0.50) DRD4ALDH1A1
SCHEMBL521024 0.83 DRD4 (0.49) DRD4RAD52DRD2TLR9TLR8
SCHEMBL13999824 0.83 PROKR1 (0.51) DRD4
SCHEMBL13548519 0.82 DRD4 (0.42) DRD4DRD2DRD3TLR9TLR8
SCHEMBL3436370 0.82 DRD4 (0.59) DRD4DRD2DRD3
SCHEMBL12070784 0.81 GAA (0.54) DRD4RAD52DRD2DRD3ALDH1A1
SCHEMBL2482489 0.81 RAD52 (0.42) DRD4RAD52DRD2DRD3ALDH1A1
SCHEMBL10036444 0.81 SLC18A3 (0.48) DRD4RAD52DRD2DRD3

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-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 (8 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK DRD4 3919/4885RAD52 3338/4885DRD2 2752/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK DRD4 3530/4885RAD52 3930/4885DRD2 2415/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK DRD4 3919/4885RAD52 3338/4885DRD2 2752/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK DRD4 3919/4885RAD52 3338/4885DRD2 2752/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 DRD4 4396/4885RAD52 3391/4885DRD2 3596/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK DRD4 4011/4885RAD52 3129/4885DRD2 2898/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK DRD4 4011/4885RAD52 3129/4885DRD2 2898/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 DRD4 2424/4885RAD52 4336/4885DRD2 2358/4885

“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.