SCHEMBL13723969

SCHEMBL13723969

NC(=O)CCc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 3/20 0.45
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
MITF O75030 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL13268485 0.84 ALDH1A1 (0.47) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL28747080 0.84 KMT2A (0.53) ALDH1A1KMT2AHTTPLA2G1BMAPT
SCHEMBL6405854 0.84 ALDH1A1 (0.50) TDP1CYP3A4ALDH1A1ALOX15TSHR
SCHEMBL8373001 0.81 TSHR (0.55) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL7063833 0.78 TDP1 (0.52) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL7122749 0.78 TDP1 (0.55) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL1922592 0.78 GAA (0.56) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL28854014 0.77 CYP3A4 (0.49) TDP1CYP3A4ALDH1A1ALOX15TSHR
SCHEMBL8372937 0.77 CYP1A2 (0.66) TDP1CYP3A4ALDH1A1ALOX15GAA
SCHEMBL530075 0.76 TSHR (0.61) ALDH1A1GAATSHRKMT2AMAPT

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
WO-2014060113-A1 NOVEL 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
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-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS 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 TDP1 1953/4885CYP3A4 4198/4885ALDH1A1 4333/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK TDP1 992/4885CYP3A4 3280/4885ALDH1A1 3674/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK TDP1 1953/4885CYP3A4 4198/4885ALDH1A1 4333/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK TDP1 1953/4885CYP3A4 4198/4885ALDH1A1 4333/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 TDP1 725/4885CYP3A4 4807/4885ALDH1A1 4394/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TDP1 1914/4885CYP3A4 4148/4885ALDH1A1 4184/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TDP1 1914/4885CYP3A4 4148/4885ALDH1A1 4184/4885

“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.