SCHEMBL17757379

SCHEMBL17757379

FC(F)(F)c1ccc(Cl)c(CNC2=Nc3ccccc3NC23CCSCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.35
▸ CYBB P04839 1/20 0.33
▸ NOX3 Q9HBY0 1/20 0.33
▸ NOX4 Q9NPH5 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ CSNK1D P48730 1/20 0.32
▸ FABP4 P15090 1/20 0.31
▸ TP53 P04637 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FPR2 P25090 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ FPR3 P25089 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ ACAT2 Q9BWD1 1/20 0.30

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
SCHEMBL17757859 0.90 P2RX7 (0.36) P2RX7CYBBNOX3NOX4NOX1
SCHEMBL17757286 0.89 ACAT2 (0.39) P2RX7CYBBNOX3NOX4NOX1
SCHEMBL17757544 0.89 P2RX7 (0.35) P2RX7CYBBNOX3NOX4NOX1
SCHEMBL17757082 0.85 EPHX2 (0.38) TP53
SCHEMBL17758047 0.85 GAA (0.39) P2RX7FABP4TP53L3MBTL1ACAT2
SCHEMBL17757384 0.84 ACAT2 (0.33) ACAT2
SCHEMBL17757079 0.84 APP (0.39) TP53ABL1
SCHEMBL17757091 0.83 HDAC3 (0.35) P2RX7ABL1
SCHEMBL17757394 0.83 LMNA (0.36) —
SCHEMBL17757373 0.81 ACAT2 (0.35) ACAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 — — EP disclosed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 — — US disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — US disclosed
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 — — US disclosed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 — — US disclosed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 — — US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — US disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 P2RX7 1390/4885CYBB 437/4885NOX3 993/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 P2RX7 1090/4885CYBB 330/4885NOX3 893/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 P2RX7 1185/4885CYBB 318/4885NOX3 876/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 P2RX7 1090/4885CYBB 330/4885NOX3 893/4885

“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.

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