SCHEMBL869059

SCHEMBL869059

O=C1NCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.54
DYRK1A Q13627 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
PIM1 P11309 1/20 0.54
CSNK1A1 P48729 1/20 0.54
ROCK1 Q13464 1/20 0.54
LRRK2 Q5S007 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
S100A4 P26447 2/20 0.49
LTK P29376 1/20 0.47
MST1R Q04912 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.46
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL31316525 1.00 CDK5 (0.54) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL16131526 0.89 CDK5 (0.50) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL7581608 0.83 PARP1 (0.57) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL16131489 0.82 CDK5 (0.44) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL27426997 0.81 S100A4 (0.43) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL2062086 0.75 S100A4 (0.47) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL28936204 0.74 CHEK1 (0.42) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29919756 0.74 CHEK1 (0.42) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL8873079 0.73 TDP1 (0.40) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL29222583 0.73 S100A4 (0.44) CDK5DYRK1ACLK4PIM1CSNK1A1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
CN-114989141-B Lenalidomide derivative and preparation method and application thereof 济南爱思医药科技有限公司 2023-12-12 CN claimed
CN-114989141-A Lenalidomide derivative and preparation method and application thereof 济南爱思医药科技有限公司 2022-09-02 CN claimed
CN-103601717-A Novel preparation method of lenalidomide Hunan huateng pharmaceutical co ltd 2014-02-26 CN claimed
EP-4027995-B1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS SATURN INC (US) 2026-05-27 EP disclosed
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 CN disclosed
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof DONG-A ST CO., LTD. (KR) 2025-03-04 US disclosed
US-12215105-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2025-02-04 US disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 CN disclosed
CN-114773424-B A bioactive androstanol derivative, and its preparation method and application 济南爱思医药科技有限公司 2024-02-02 CN disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK CORP. 2003-08-07 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 US disclosed
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 US disclosed
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 US disclosed
US-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2002-07-18 US disclosed
WO-2001077075-A2 INHIBITORS OF INFLAMMATION AND REPERFUSION INJURY INOTEK CORPORATION (US) 2001-10-18 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-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 CDK5 411/4885DYRK1A 3592/4885CLK4 2132/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CDK5 777/4885DYRK1A 2470/4885CLK4 4298/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CDK5 934/4885DYRK1A 860/4885CLK4 198/4885
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof EIF2AK4, GCN1, GCGR CDK5 1211/4885DYRK1A 4802/4885CLK4 3903/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CDK5 504/4885DYRK1A 2254/4885CLK4 3435/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR CDK5 1211/4885DYRK1A 4802/4885CLK4 3903/4885
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 CDK5 411/4885DYRK1A 3592/4885CLK4 2132/4885
US-12215105-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 CDK5 934/4885DYRK1A 860/4885CLK4 198/4885

“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.