SCHEMBL2377209

SCHEMBL2377209

CN(C)C(=O)C1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.71
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 2/20 0.43
MME P08473 1/20 0.42
CTSK P43235 2/20 0.42
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 1/20 0.38
CDK9 P50750 1/20 0.38
REN P00797 1/20 0.37
EPHX2 P34913 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL10032035 1.00 BTK (0.71) BTKCA1CA2GAAKMT2A
SCHEMBL4944886 0.87 BTK (0.66) BTKCA1CA2GAAKMT2A
SCHEMBL12519554 0.87 BTK (0.66) BTKCA1CA2GAAKMT2A
SCHEMBL15584829 0.87 BTK (0.66) BTKCA1CA2GAAKMT2A
SCHEMBL15499671 0.86 BTK (0.54) BTKCA1CA2GAAKMT2A
SCHEMBL668339 0.86 BTK (0.54) BTKCA1CA2GAAKMT2A
SCHEMBL7205713 0.84 BTK (0.78) BTKCA1CA2GAAKMT2A
SCHEMBL14502820 0.84 BTK (0.78) BTKCA1CA2GAAKMT2A
SCHEMBL7210932 0.84 BTK (0.78) BTKCA1CA2GAAKMT2A
SCHEMBL7212396 0.84 BTK (0.78) BTKCA1CA2GAAKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146145-A Preparation method of ideoxaban and intermediate thereof 浙江华海药业股份有限公司 2024-06-07 CN disclosed
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN 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 (1 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 BTK 67/4885CA1 4702/4885CA2 4272/4885

“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.