SCHEMBL442676

SCHEMBL442676

O=C1CCCN1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
LMNA P02545 2/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CD O00329 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.31
AKR1C3 P42330 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL2997559 0.97 BRD4 (0.42) BRD4BRD2LMNACHRM2CHRM4
SCHEMBL10525669 0.95 BRD4 (0.39) BRD4BRD2LMNACHRM2CHRM4
SCHEMBL1440029 0.92 ALDH1A1 (0.37) BRD4BRD2LMNACHRM2CHRM4
SCHEMBL2927812 0.90 CHRM2 (0.33) BRD4BRD2CHRM2CHRM4CHRM5
SCHEMBL2929497 0.87 CHRM2 (0.32) BRD4BRD2CHRM2CHRM4CHRM5
SCHEMBL15168977 0.85 BRD4 (0.41) BRD4BRD2LMNACHRM2CHRM4
SCHEMBL20919753 0.84 CHRM2 (0.33) BRD4BRD2CHRM2CHRM4CHRM5
SCHEMBL420538 0.84
SCHEMBL2363506 0.83 BRD4 (0.48) BRD4BRD2LMNACHRM2CHRM4
SCHEMBL600282 0.83 BRD4 (0.52) BRD4BRD2LMNACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US claimed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US claimed
EP-2342173-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS Novartis AG (CH) 2011-07-13 EP claimed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US claimed
WO-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 WO claimed
EP-1448198-B1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-10-31 EP claimed
EP-1824856-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP claimed
WO-2006061415-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO claimed
WO-2024052871-A1 NOVEL RUTHENIUM COMPLEXES, METHOD OF THEIR SYNTHESIS, INTERMEDIATE COMPOUNDS USED IN THIS METHOD, METHOD OF THEIR SYNTHESIS AND USE OF NOVEL RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTIONS UNIWERSYTET WARSZAWSKI (PL) 2024-03-14 WO disclosed
CN-116234800-A Copper complexes for the treatment of neurodegenerative disorders ALS治疗发展学会 2023-06-06 CN disclosed
CN-114555565-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-05-27 CN disclosed
CN-109476628-B Sulfonylcycloalkylamide compounds as TRPA1 modulators 豪夫迈·罗氏有限公司 2022-01-11 CN disclosed
WO-2018134800-A1 DIALKYL COMPLEXES OF GALLIUM AND INDIUM AND THEIR USE FOR PREPARATION OF POLYLACTIDE-PHARMACEUTICALLY ACTIVE COMPOUND CONJUGATES AND FOR IMMORTAL RING-OPENING POLYMERIZATION OF HETEROC CLIC MONOMERS UNIWERSYTET WARSZAWSKI (PL) 2018-07-26 WO disclosed
CN-107099257-A Adhesive sheet, display, and method for producing same 琳得科株式会社 2017-08-29 CN disclosed
US-6620811-B2 Adenosine receptor antagonists; nervous system and cardiovascular disorders; Parkinson*s, Huntington*s, and Alzheimer* disease; antiasthmatics, antiallergens HOFFMANN-LA ROCHE INC. 2003-09-16 US disclosed
US-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles F.HOFFMANN-LA ROCHE AG (CH) 2003-07-17 US disclosed
WO-2003043636-A1 NICOTIN-OR ISONICOTIN BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 WO disclosed
CN-1383025-A Electrically controlled variable-wavelength filter and its prepearing process UNIV SHANGHAI JIAOTONG (CN) 2002-12-04 CN disclosed
US-6281352-B1 ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-08-28 US disclosed
US-4892959-A REACTING N-METHYLPYRROLIDONE WITH HYDROGEN OVER A COPPER CHROMITE CATALYST TEXACO CHEMICAL CO. (US) 1990-01-09 US 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-20030134854-A1 Isonicotin- and nicotinamide derivatives of benzothiazoles ADORA1, ADORA2A, ADORA3 BRD4 988/4885BRD2 1051/4885LMNA 2622/4885
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 BRD4 1014/4885BRD2 1699/4885LMNA 2533/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 BRD4 1055/4885BRD2 1765/4885LMNA 2639/4885

“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.