SCHEMBL17757736

SCHEMBL17757736

c1ccc2c(c1)N=C(NCc1ccc(N3CCCC3)cc1)C1(CCNCC1)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ GAA P10253 6/20 0.35
▸ L3MBTL1 Q9Y468 5/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ APP P05067 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ USP2 O75604 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34

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
SCHEMBL17757119 0.92 ALDH1A1 (0.40) ALDH1A1ALOX15GAAL3MBTL1MAPK1
SCHEMBL17757538 0.90 GAA (0.40) ALDH1A1ALOX15GAAL3MBTL1MAPK1
SCHEMBL17757734 0.89 PRMT6 (0.42) ALDH1A1MAPK1MAPTKDM4EMEN1
SCHEMBL17757090 0.89 ALDH1A1 (0.38) ALDH1A1ALOX15GAAL3MBTL1MAPK1
SCHEMBL17757203 0.85 ACAT2 (0.38) ALDH1A1GAAMAPK1MAPTKDM4E
SCHEMBL17757284 0.85 ACAT2 (0.37) APPTP53SMN1; SMN2NPC1RAB9A
SCHEMBL17757717 0.84 ACAT2 (0.40) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL17757733 0.84 ACAT2 (0.34) —
SCHEMBL17757715 0.84 KCNH3 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL17757202 0.84 ACAT2 (0.35) ALDH1A1GAAMAPK1MAPTKDM4E

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 ALDH1A1 2889/4885ALOX15 84/4885GAA 2647/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ALDH1A1 3830/4885ALOX15 154/4885GAA 1605/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ALDH1A1 3845/4885ALOX15 170/4885GAA 1609/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ALDH1A1 3830/4885ALOX15 154/4885GAA 1605/4885

“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.

Send feedback