SCHEMBL17757078

SCHEMBL17757078

COCCc1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCOCC1)N2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ THRB P10828 2/20 0.33
▸ NOS3 P29474 5/20 0.33
▸ NOS1 P29475 5/20 0.33
▸ NOS2 P35228 5/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ 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
▸ C3AR1 Q16581 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
SCHEMBL17757345 0.94 PIK3CA (0.35) PIK3CAPIK3CBEIF2AK1THRBNOS3
SCHEMBL17757911 0.91 LPAR1 (0.38) EIF2AK1NOS3NOS1NOS2RXFP1
SCHEMBL17757793 0.90 ACAT2 (0.41) EIF2AK1NOS3NOS1NOS2RXFP1
SCHEMBL17757575 0.90 EIF2AK1 (0.35) EIF2AK1NOS3NOS1NOS2RXFP1
SCHEMBL17757061 0.90 PIK3CA (0.35) PIK3CAPIK3CBEIF2AK1THRBRXFP1
SCHEMBL17757070 0.88 TAAR1 (0.44) PIK3CAPIK3CBNOS3NOS1NOS2
SCHEMBL17757076 0.87 PIK3CA (0.40) PIK3CAPIK3CBEIF2AK1GRM4
SCHEMBL17757063 0.86 EGFR (0.38) PIK3CAPIK3CBEIF2AK1THRBRXFP1
SCHEMBL17758069 0.85 PIK3CA (0.35) PIK3CAPIK3CBEIF2AK1THRBRXFP1
SCHEMBL17757615 0.85 LPAR1 (0.38) EIF2AK1NOS3NOS1NOS2RXFP1

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 PIK3CA 2107/4885PIK3CB 2669/4885EIF2AK1 2616/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 PIK3CA 1716/4885PIK3CB 2190/4885EIF2AK1 1926/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 PIK3CA 1721/4885PIK3CB 2100/4885EIF2AK1 1885/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 PIK3CA 1716/4885PIK3CB 2190/4885EIF2AK1 1926/4885

“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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