SCHEMBL17758050

SCHEMBL17758050

c1ccc(N2CCCC2)c(CNC2=Nc3ccccc3NC23CCOCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 5/20 0.39
▸ BRD4 O60885 4/20 0.39
▸ P2RX7 Q99572 1/20 0.37
▸ FGFR1 P11362 1/20 0.35
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ ADRA1A P35348 2/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ BRPF1 P55201 2/20 0.31
▸ BRD7 Q9NPI1 1/20 0.31
▸ LIPG Q9Y5X9 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
SCHEMBL17757112 0.91 FABP3 (0.39) BRD9BRD4FABP3FABP4CYP3A4
SCHEMBL16410800 0.90 BRD4 (0.35) BRD9BRD4P2RX7FGFR1FABP3
SCHEMBL17757735 0.89 BRD9 (0.38) BRD9BRD4FABP3FABP4CYP3A4
SCHEMBL17757086 0.88 FABP3 (0.35) BRD9BRD4FABP3FABP4CYP3A4
SCHEMBL17757538 0.84 GAA (0.40) CYP3A4CYP2C19PIK3CAPIK3CB
SCHEMBL17757325 0.83 PIK3CA (0.39) CYP3A4CYP2C19PIK3CAPIK3CBPDE2A
SCHEMBL17757337 0.82 CYP2A13 (0.36) —
SCHEMBL17757340 0.82 CYP2A13 (0.36) BRD9BRD4PIK3CAPIK3CBPIK3CD
SCHEMBL17757324 0.82 CYP2A13 (0.36) CYP3A4CYP2C19PDE2A
SCHEMBL17758060 0.82 STAT6 (0.32) —

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 BRD9 3297/4885BRD4 1950/4885P2RX7 1390/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 BRD9 2250/4885BRD4 1513/4885P2RX7 1090/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 BRD9 2288/4885BRD4 1535/4885P2RX7 1185/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 BRD9 2250/4885BRD4 1513/4885P2RX7 1090/4885

“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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