SCHEMBL955079

SCHEMBL955079

NC1CCC(NC2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.36
MAOB P27338 8/20 0.36
MAOA P21397 5/20 0.36
KDM1B Q8NB78 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL24267657 1.00 KDM1A (0.36) KDM1AMAOBMAOAKDM1BRCOR1
Hydrochloric Acid SCHEMBL30556192 0.98 KDM1A (0.38) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL2405510 0.87 ALDH1A1 (0.42) KDM1AMAOBMAOAALDH1A1HSD17B10
SCHEMBL19366623 0.84 ALDH1A1 (0.44) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL20907336 0.84 ALDH1A1 (0.44) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL933210 0.84 ALDH1A1 (0.44) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL21422778 0.84 ALDH1A1 (0.44) KDM1AMAOBMAOAALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL1811903 0.82 ROCK2 (0.34) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL1459410 0.81 ALDH1A1 (0.42) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL9760083 0.78 TTR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504708-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-20240252688-A1 COMPOSITIONS AND METHODS FOR ENHANCED PROTEIN PRODUCTION HDT BIO CORP. 2024-08-01 US disclosed
US-20230416271-A1 HETEROARYLQUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS Chengdu Cynogen Bio-Pharmaceutical Technology Co., Ltd. (CN) 2023-12-28 US disclosed
WO-2023196517-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2023-10-12 WO disclosed
WO-2022111634-A1 HETEROARYLQUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS 成都赛璟生物医药科技有限公司 2022-06-02 WO disclosed
CN-110418789-B Derivatives of N-cycloalkyl/heterocycloalkyl-4- (imidazo [1,2-a ] pyridine) pyrimidin-2-amines as therapeutic agents 常州千红生化制药股份有限公司 2022-03-25 CN 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
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-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
EP-1845974-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
EP-1845975-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
EP-1845973-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
US-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide ASTEX THERAPEUTICS LIMITED (GB) 2006-08-31 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
EP-1651612-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) 2006-05-03 EP 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 (3 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-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide CDK1, CDK3, ROS1 KDM1A 1922/4885MAOB 3078/4885MAOA 2524/4885
US-20230416271-A1 HETEROARYLQUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK9, CDK2, CDK6 KDM1A 1421/4885MAOB 3450/4885MAOA 3566/4885
US-20200331925-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION MKI67, CCNC, CCNI KDM1A 1594/4885MAOB 2901/4885MAOA 3494/4885

“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.