SCHEMBL13728552

SCHEMBL13728552

Nc1ccc(-n2cc(CO)nn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.70
KDM4E B2RXH2 1/20 0.70
MAPT P10636 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.69
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
P2RX7 Q99572 1/20 0.64

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
SCHEMBL17978468 0.86 NOTUM (0.53) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL17076798 0.84 NOTUM (0.71) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL30723667 0.84 NOTUM (0.72) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL23059421 0.83 NOTUM (0.66) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL17978484 0.82 NOTUM (0.50) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL3760196 0.82 NOTUM (0.50) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL17502287 0.82 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL19211396 0.82 NOTUM (1.00) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL20639902 0.82 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1CA12
SCHEMBL17704937 0.82 NOTUM (0.70) NOTUMKDM4EMAPTL3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256461-B1 UREA AND SULFONAMIDE DERIVATIVES AS HUMAN HELICASE DDX3 INHIBITORS USEFUL IN THE TREATMENT OF VIRAL DISEASES AZIENDA OSPEDALIERA UNIV SENESE (IT) 2023-09-13 EP disclosed
EP-3432881-B1 USE OF DDX3 INHIBITORS AS ANTIPROLIFERATIVE AGENTS AZIENDA OSPEDALIERA UNIV SENESE (IT) 2021-11-24 EP disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-11000512-B2 Use of DDX3 inhibitors as antiproliferative agents AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2021-05-11 US disclosed
US-10941121-B2 Human helicase DDX3 inhibitors as therapeutic agents AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2021-03-09 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20200140398-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2020-05-07 US disclosed
US-20190099403-A1 USE OF DDX3 INHIBITORS AS ANTIPROLIFERATIVE AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENRESE (IT) 2019-04-04 US disclosed
EP-3432881-A1 USE OF DDX3 INHIBITORS AS ANTIPROLIFERATIVE AGENTS Azienda Ospedaliera Universitaria Senese (IT) 2019-01-30 EP 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-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO 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-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

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

For each of this compound's patents that has machine-readable text (10 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-11000512-B2 Use of DDX3 inhibitors as antiproliferative agents DDX3X, DDX21, DDB1 NOTUM 4246/4885KDM4E 1563/4885MAPT 4194/4885
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 NOTUM 1961/4885KDM4E 2770/4885MAPT 128/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOTUM 3651/4885KDM4E 1662/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NOTUM 4550/4885KDM4E 1409/4885MAPT 501/4885
US-20200140398-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 NOTUM 4334/4885KDM4E 2372/4885MAPT 3432/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NOTUM 3651/4885KDM4E 1662/4885MAPT 470/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 NOTUM 4349/4885KDM4E 1843/4885MAPT 634/4885
US-10941121-B2 Human helicase DDX3 inhibitors as therapeutic agents DDX3X, DDX39B, DDX1 NOTUM 4334/4885KDM4E 2372/4885MAPT 3432/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOTUM 3654/4885KDM4E 1645/4885MAPT 438/4885
US-20190099403-A1 USE OF DDX3 INHIBITORS AS ANTIPROLIFERATIVE AGENTS DDX21, DDX3X, DDB1 NOTUM 4300/4885KDM4E 1596/4885MAPT 4136/4885

“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.