SCHEMBL4083189

SCHEMBL4083189

CC(C)(C)OC(=O)NNCCN

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 2/20 0.38
CA7 P43166 2/20 0.37
MAPK1 P28482 1/20 0.36
CA14 Q9ULX7 2/20 0.35
EPHX1 P07099 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7303091 0.85 TDP1 (0.49) APLNRTDP1MAOAMAOBGAA
SCHEMBL15308707 0.82 APLNR (0.41) APLNRTDP1MAOAMAOBGAA
SCHEMBL3252218 0.82 CA1 (0.43) APLNRTDP1MAOAMAOBGAA
SCHEMBL2087588 0.82 TDP1 (0.52) APLNRTDP1MAOAMAOBGAA
SCHEMBL25224623 0.81 MAOA (0.45) APLNRTDP1MAOAMAOBGAA
SCHEMBL16790443 0.81 TDP1 (0.51) TDP1MAOAMAOBGAAMEN1
SCHEMBL5301039 0.80 APLNR (0.42) APLNRTDP1MAOAMAOBGAA
SCHEMBL15134348 0.80 APLNR (0.42) APLNRTDP1MAOAMAOBGAA
SCHEMBL34362 0.79 TDP1 (0.58) TDP1MAOAMAOBGAAMEN1
SCHEMBL1515679 0.78 APLNR (0.41) APLNRTDP1MAOAMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160244-B Preparation method and application of tri-functional DOTA chelating agent intermediate 厦门大学 2023-08-11 CN claimed
CN-115160244-A Preparation method and application of novel trifunctional DOTA chelating agent intermediate 厦门大学 2022-10-11 CN claimed
CN-115160244-B Preparation method and application of tri-functional DOTA chelating agent intermediate 厦门大学 2023-08-11 CN disclosed
CN-115160244-A Preparation method and application of novel trifunctional DOTA chelating agent intermediate 厦门大学 2022-10-11 CN disclosed
EP-2826785-A1 LYSINE OLIGOMER DERIVATIVE AND CARTILAGE TISSUE MARKER MADE THEREOF National University Corporation Okayama University (JP) 2015-01-21 EP disclosed
WO-2013137302-A1 LYSINE OLIGOMER DERIVATIVE AND CARTILAGE TISSUE MARKER MADE THEREOF 国立大学法人 岡山大学 (JP) 2013-09-19 WO disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
EP-2007382-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US 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 (1 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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB APLNR 4706/4885TDP1 1532/4885MAOA 2688/4885

“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.