SCHEMBL75945

SCHEMBL75945

O=S(=O)(C1CC1)N1CC[N]CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
CHRM4 P08173 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 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
SCHEMBL2104981 0.91 EPHX2 (0.40) EPHX2CHRM4
SCHEMBL2102934 0.91 EPHX2 (0.43) EPHX2CHRM4
SCHEMBL2103195 0.89 EPHX2 (0.46) EPHX2CHRM4
SCHEMBL18914047 0.76 EPHX2 (0.46) EPHX2CHRM4
SCHEMBL4355006 0.76 CA1 (0.46) EPHX2CHRM4
SCHEMBL4439325 0.74 CA1 (0.50) EPHX2CHRM4
SCHEMBL3503020 0.74 CA1 (0.50) EPHX2CHRM4
SCHEMBL666285 0.70 CA1 (0.52)
SCHEMBL1380380 0.70 EPHX2 (0.38) EPHX2CHRM4ABL1BCR
SCHEMBL68732 0.70 EPHX2 (0.42) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP claimed
US-8653081-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-02-18 US claimed
US-20130296335-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2013-11-07 US claimed
US-8410108-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-04-02 US claimed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US claimed
EP-1912972-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-09-28 EP claimed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 US claimed
US-20100210634-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US claimed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US claimed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 US claimed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US claimed
EP-2091926-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS Novartis AG (CH) 2009-08-26 EP claimed
EP-1959962-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US claimed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 WO claimed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007078815-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 WO claimed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US claimed
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 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 (6 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-20100210634-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 EPHX2 3695/4885CHRM4 308/4885ABL1 2656/4885
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B EPHX2 4759/4885CHRM4 4692/4885ABL1 2771/4885
US-20130296335-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNI3, MYLK2, TNNT2 EPHX2 3572/4885CHRM4 392/4885ABL1 2030/4885
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 EPHX2 3943/4885CHRM4 4602/4885ABL1 3009/4885
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 EPHX2 3943/4885CHRM4 4602/4885ABL1 3009/4885
US-20070197507-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 EPHX2 3695/4885CHRM4 308/4885ABL1 2656/4885

“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.