SCHEMBL3229381

SCHEMBL3229381

Cc1nn(C)c(C)c1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
PIM3 Q86V86 2/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 1/20 0.46
CLK2 P49760 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
MAP2K1 Q02750 1/20 0.46
PRKCQ Q04759 1/20 0.46
ACVR1 Q04771 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
Hydrochloric Acid SCHEMBL5010808 0.98 KDM4E (0.61) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL7374137 0.82 KDM4E (0.58) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL2192189 0.81 KDM4E (0.47) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL3132502 0.80 KDM4E (0.56) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL1335845 0.80 KDM4E (0.60) KDM4EALDH1A1GAAPOLBL3MBTL1
SCHEMBL335081 0.80 KDM4E (0.60) KDM4EALDH1A1GAAPOLBL3MBTL1
SCHEMBL5290793 0.79 L3MBTL1 (0.54) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL710321 0.79 KDM4E (0.46) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL27532623 0.79 KDM4E (0.46) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL15774159 0.78 KDM4E (0.58) KDM4EALDH1A1GAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428294-B N cycloalkyl N [(heterocyclyl phenyl) methylene] (thio) carboxamide derivative 拜尔农科股份公司 2017-07-14 CN claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-6011053-A USE TO ELEVATE HDL CHOLESTEROL CONCENTRATIONS, WHICH MAY BE USEFUL IN THE TREATMENT OF ATHEROSCLEROTIC CONDITIONS SUCH AS DYSLIPOPROTEINEMIAS AND CORONARY HEART DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 2000-01-04 US claimed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
CN-111200934-B Novel agrochemical pesticide composition 巴斯夫欧洲公司 2022-12-20 CN disclosed
CN-106489950-B Reactive compound compound comprising (thio) carboxamide derivative and desinsection, mite killing or eelworm-killing activity compound 拜耳作物科学股份公司 2019-04-16 CN disclosed
CN-109169661-A Composition including biocontrol agent and insecticide 拜耳作物科学股份公司 2019-01-11 CN disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO disclosed
WO-2004041273-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 US disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 US disclosed
US-6011053-A USE TO ELEVATE HDL CHOLESTEROL CONCENTRATIONS, WHICH MAY BE USEFUL IN THE TREATMENT OF ATHEROSCLEROTIC CONDITIONS SUCH AS DYSLIPOPROTEINEMIAS AND CORONARY HEART DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 2000-01-04 US disclosed
WO-1999011618-A1 SUBSTITUTED INDOLE-1-CARBOTHIOIC ACID AMIDES AS NOVEL ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 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 (4 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4E 2087/4885PIM3 4753/4885DAPK3 2384/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KDM4E 2087/4885PIM3 4753/4885DAPK3 2384/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL KDM4E 3446/4885PIM3 593/4885DAPK3 557/4885
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 KDM4E 2140/4885PIM3 3467/4885DAPK3 2615/4885

“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.