SCHEMBL17757575

SCHEMBL17757575

COCCc1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCSCC1)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ C3AR1 Q16581 1/20 0.34
▸ NOS3 P29474 5/20 0.33
▸ NOS1 P29475 5/20 0.33
▸ NOS2 P35228 5/20 0.33
▸ ACAT2 Q9BWD1 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL17757407 0.94 C3AR1 (0.34) EIF2AK1C3AR1NOS3NOS1NOS2
SCHEMBL17757911 0.92 LPAR1 (0.38) EIF2AK1C3AR1NOS3NOS1NOS2
SCHEMBL17757793 0.91 ACAT2 (0.41) EIF2AK1C3AR1NOS3NOS1NOS2
SCHEMBL17757078 0.90 PIK3CA (0.35) EIF2AK1C3AR1NOS3NOS1NOS2
SCHEMBL17757834 0.89 EIF2AK1 (0.33) EIF2AK1C3AR1ACAT2RXFP1RAF1
SCHEMBL17757576 0.88 TAAR1 (0.45) EIF2AK1C3AR1NOS3NOS1NOS2
SCHEMBL17757415 0.87 ACAT2 (0.38) EIF2AK1C3AR1ACAT2GRM4MAPK8
SCHEMBL17757580 0.86 FYN (0.39) EIF2AK1RXFP1RAF1MAPK1HTT
SCHEMBL17757615 0.85 LPAR1 (0.38) EIF2AK1C3AR1NOS3NOS1NOS2
SCHEMBL17757564 0.85 EIF2AK1 (0.34) EIF2AK1C3AR1RXFP1RAF1MAPK1

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 EIF2AK1 2616/4885C3AR1 2983/4885NOS3 1361/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 EIF2AK1 1926/4885C3AR1 2490/4885NOS3 1412/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 EIF2AK1 1885/4885C3AR1 2478/4885NOS3 1398/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 EIF2AK1 1926/4885C3AR1 2490/4885NOS3 1412/4885

“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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