SCHEMBL1286686

SCHEMBL1286686

C[C@H]1CC[C@H](NC2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
EPHX1 P07099 1/20 0.34
MAPK1 P28482 3/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRK1 P41145 2/20 0.31

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
SCHEMBL998697 1.00 IRAK4 (0.36) IRAK4EPHX1MAPK1KDM1AMAOA
SCHEMBL22570232 1.00 IRAK4 (0.36) IRAK4EPHX1MAPK1KDM1AMAOA
SCHEMBL2405510 0.87 ALDH1A1 (0.42) IRAK4MAPK1KDM1AMAOAMAOB
SCHEMBL21088489 0.84 ALDH1A1 (0.44) EPHX1ALDH1A1HSD17B10OPRK1
SCHEMBL998623 0.84 ALDH1A1 (0.44) EPHX1ALDH1A1HSD17B10OPRK1
SCHEMBL23944315 0.84 ALDH1A1 (0.44) EPHX1ALDH1A1HSD17B10OPRK1
SCHEMBL21422778 0.84 ALDH1A1 (0.44) IRAK4MAPK1KDM1AMAOAMAOB
SCHEMBL24429561 0.80 EPHX1 (0.34) EPHX1ALDH1A1HSD17B10
SCHEMBL24429562 0.80 EPHX1 (0.34) EPHX1ALDH1A1HSD17B10
SCHEMBL26886823 0.76 EPHX1 (0.37) EPHX1MAPK1ALDH1A1HSD17B10OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322792-A1 CDK9 INHIBITORS BAERENKRAFT THERAPEUTICS, LLC 2023-10-12 US disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 US disclosed
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2020-10-22 US disclosed
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 US disclosed
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 US disclosed
EP-2256106-B1 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators ASTEX THERAPEUTICS LTD (GB) 2015-05-06 EP disclosed
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2014-12-18 US disclosed
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide ASTEX THERAPEUTICS, LTD. (GB) 2008-10-30 US disclosed
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2008-08-21 US disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
US-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 US disclosed
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-20080161251-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 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 (11 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-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ROS1, CDK9, GRK4 IRAK4 457/4885EPHX1 2896/4885MAPK1 93/4885
US-20230322792-A1 CDK9 INHIBITORS CDK9, CDK19, CDK3 IRAK4 2523/4885EPHX1 3487/4885MAPK1 232/4885
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide CDK1, CDK4, CDK3 IRAK4 632/4885EPHX1 2886/4885MAPK1 190/4885
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK IRAK4 893/4885EPHX1 3492/4885MAPK1 241/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK IRAK4 893/4885EPHX1 3492/4885MAPK1 241/4885
US-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 IRAK4 2150/4885EPHX1 3297/4885MAPK1 210/4885
US-20080161251-A1 Pharmaceutical Compounds HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR4A1 IRAK4 2246/4885EPHX1 1935/4885MAPK1 425/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI IRAK4 4382/4885EPHX1 1486/4885MAPK1 1115/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK IRAK4 893/4885EPHX1 3492/4885MAPK1 241/4885
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 IRAK4 997/4885EPHX1 2115/4885MAPK1 247/4885
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth CDK3, CDK4, CDK1 IRAK4 739/4885EPHX1 2186/4885MAPK1 279/4885

“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.