SCHEMBL573789

SCHEMBL573789

CC(C)(C)OC(=O)NNC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
BTK Q06187 1/20 0.54
EPHX1 P07099 3/20 0.51
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
APLNR P35414 1/20 0.38

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
SCHEMBL5287930 0.98 GAA (0.64) GAABTKEPHX1CA1CA2
SCHEMBL5299387 0.98 GAA (0.64) GAABTKEPHX1CA1CA2
SCHEMBL1863269 0.98 GAA (0.64) GAABTKEPHX1CA1CA2
SCHEMBL5280356 0.98 GAA (0.64) GAABTKEPHX1CA1CA2
SCHEMBL5283385 0.98 GAA (0.64) GAABTKEPHX1CA1CA2
SCHEMBL4492849 0.96 BTK (0.58) GAABTKEPHX1CA1CA2
SCHEMBL2074992 0.92 GAA (0.51) GAABTKEPHX1CA1CA2
Hydrochloric Acid SCHEMBL4657631 0.90 GAA (0.52) GAABTKEPHX1CA1CA2
SCHEMBL12276713 0.85 GAA (0.48) GAABTKEPHX1CA1CA2
SCHEMBL14853197 0.85 GAA (0.48) GAABTKEPHX1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359618-A Hydrazide substituted condensed heteroaryl compounds, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-07-19 CN disclosed
US-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2019-10-24 US disclosed
WO-2018071526-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2018-04-19 WO disclosed
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
US-7241763-B2 3-furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-7241763-B2 3-furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 EP 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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 GAA 578/4885BTK 3840/4885EPHX1 737/4885
US-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, GRPR, BID GAA 4725/4885BTK 4645/4885EPHX1 2708/4885
US-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R GAA 3957/4885BTK 514/4885EPHX1 4208/4885
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 GAA 4704/4885BTK 492/4885EPHX1 2770/4885
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 GAA 1982/4885BTK 1000/4885EPHX1 3209/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 GAA 2016/4885BTK 4007/4885EPHX1 672/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 GAA 2016/4885BTK 4007/4885EPHX1 672/4885

“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.