SCHEMBL1705702

SCHEMBL1705702

O=C(O)NC1CCC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
ALOX15 P16050 1/20 0.35
KDM1A O60341 7/20 0.35
IDO1 P14902 1/20 0.34
MAOB P27338 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
SCN9A Q15858 2/20 0.32
JAK3 P52333 1/20 0.32
IDH1 O75874 1/20 0.31
CFD P00746 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
SCHEMBL23573248 1.00 EPHX2 (0.41) EPHX2CHRM2CHRM1CHRM3ALOX15
SCHEMBL28473546 1.00 EPHX2 (0.41) EPHX2CHRM2CHRM1CHRM3ALOX15
SCHEMBL15380009 0.88 EPHX1 (0.34) EPHX2CHRM2CHRM1CHRM3GRIN1
SCHEMBL23573359 0.88 EPHX1 (0.34) EPHX2CHRM2CHRM1CHRM3GRIN1
SCHEMBL16893232 0.88 EPHX1 (0.34) EPHX2CHRM2CHRM1CHRM3GRIN1
SCHEMBL2772737 0.87 EPHX2 (0.51) EPHX2CHRM2CHRM1CHRM3KDM1A
SCHEMBL15129467 0.82 APLNR (0.33) EPHX2KDM1A
SCHEMBL12886524 0.82 EPHX2 (0.40) EPHX2CHRM2CHRM1CHRM3ALOX15
SCHEMBL14970367 0.82 ALOX15 (0.47) EPHX2CHRM2CHRM1CHRM3ALOX15
SCHEMBL23573492 0.80 EPHX2 (0.46) EPHX2KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822274-B1 SYNTHETIC INTERMEDIATES USEFUL FOR PREPARING SUBSTITUTED AMINOPURINE COMPOUNDS SIGNAL PHARM LLC (US) 2024-03-06 EP disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
WO-2023069708-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2023-02-28 US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
EP-3822274-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2021-05-19 EP disclosed
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-05-06 US disclosed
US-10940152-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-03-09 US disclosed
EP-3204386-B1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-03-03 EP disclosed
US-20190091230-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2019-03-28 US disclosed
US-10149849-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2018-12-11 US disclosed
US-20170296546-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2017-10-19 US disclosed
EP-3204386-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2017-08-16 EP disclosed
CN-107001372-A Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2017-08-01 CN disclosed
US-9512124-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2016-12-06 US disclosed
WO-2016057370-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2016-04-14 WO disclosed
US-20160096841-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2016-04-07 US disclosed
EP-2440558-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010144486-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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 (9 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 EPHX2 959/4885CHRM2 177/4885CHRM1 194/4885
US-20190091230-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885
US-20160096841-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885
US-10149849-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885
US-10940152-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885
US-20170296546-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP EPHX2 1569/4885CHRM2 4307/4885CHRM1 4191/4885

“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.