SCHEMBL17757052

SCHEMBL17757052

N#Cc1cc2c(cc1C#N)NC1(CCOCC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.32
▸ VNN1 O95497 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ACAT2 Q9BWD1 1/20 0.32
▸ KCNN3 Q9UGI6 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ OPRM1 P35372 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31
▸ ICMT O60725 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
SCHEMBL17757908 0.90 MEN1 (0.39) MEN1KMT2APRKCQNPSR1VNN1
SCHEMBL17757827 0.90 KMT2A (0.41) MEN1KMT2APRKCQNPSR1VNN1
SCHEMBL17758024 0.90 ACAT2 (0.43) MEN1KMT2APRKCQNPSR1VNN1
SCHEMBL17757330 0.89 PIK3CA (0.41) KMT2APIK3CAPIK3CBMAOBACAT2
SCHEMBL17757329 0.89 VNN1 (0.38) MEN1KMT2APIK3CAPIK3CBPRKCQ
SCHEMBL17757075 0.88 VNN1 (0.38) MEN1KMT2APIK3CAPIK3CBPRKCQ
SCHEMBL17758063 0.88 MEN1 (0.39) MEN1KMT2APIK3CAPIK3CBPRKCQ
SCHEMBL17757055 0.87 PIK3CA (0.40) PIK3CAPIK3CBMAOBACAT2KCNN3
SCHEMBL17757348 0.87 MEN1 (0.38) MEN1KMT2APIK3CAPIK3CBPRKCQ
SCHEMBL17757076 0.86 PIK3CA (0.40) KMT2APIK3CAPIK3CBMAOBACAT2

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 MEN1 3860/4885KMT2A 4518/4885PIK3CA 2107/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MEN1 3824/4885KMT2A 4303/4885PIK3CA 1716/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 MEN1 3958/4885KMT2A 4285/4885PIK3CA 1721/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MEN1 3824/4885KMT2A 4303/4885PIK3CA 1716/4885

“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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