SCHEMBL13723401

SCHEMBL13723401

COc1cc(N)ccc1N1CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 2/20 0.50
ALDH1A1 P00352 8/20 0.48
HTT P42858 2/20 0.48
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
ALDH1A3 P47895 1/20 0.42
KDM4E B2RXH2 6/20 0.41
MAPT P10636 8/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 2/20 0.41
PTK2B Q14289 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1930421 0.91 NR4A1 (0.48) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL15650970 0.91 NR4A1 (0.48) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL1930423 0.91 NR4A1 (0.48) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL21644440 0.88 ALDH1A1 (0.51) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL15651966 0.88 NR4A1 (0.40) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL17265438 0.88 NR4A1 (0.53) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL15540924 0.86 NR4A1 (0.51) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL29989590 0.86 ALDH1A1 (0.65) NR4A1ALDH1A1HTTDRD2HTR2A
SCHEMBL15358685 0.85 NR4A1 (0.61) NR4A1ALDH1A1HTTDRD2ALDH1A3
SCHEMBL15244065 0.85 NR4A1 (0.50) NR4A1ALDH1A1HTTDRD2HTR2A

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 18 patents. 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
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP 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-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329785-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 NR4A1 3962/4885ALDH1A1 4333/4885HTT 2625/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NR4A1 3992/4885ALDH1A1 3674/4885HTT 3171/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NR4A1 3962/4885ALDH1A1 4333/4885HTT 2625/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NR4A1 3962/4885ALDH1A1 4333/4885HTT 2625/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 NR4A1 4703/4885ALDH1A1 4394/4885HTT 1470/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NR4A1 4077/4885ALDH1A1 4184/4885HTT 2188/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NR4A1 4077/4885ALDH1A1 4184/4885HTT 2188/4885

“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.