SCHEMBL17757570

SCHEMBL17757570

CN(C)C(=O)c1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCSCC1)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 3/20 0.39
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ CYP1A2 P05177 4/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK3 P27361 1/20 0.35

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
SCHEMBL17757402 0.94 WDR5 (0.40) WDR5CNR1CNR2HDAC1HDAC3
SCHEMBL17757624 0.93 WDR5 (0.39) WDR5CNR1CNR2HDAC1HDAC3
SCHEMBL17757788 0.92 ACAT2 (0.41) WDR5CNR1CNR2HDAC1HDAC3
SCHEMBL17757064 0.91 WDR5 (0.38) WDR5CNR1CNR2HDAC1HDAC3
SCHEMBL17757582 0.90 PTK2 (0.40) WDR5CNR1CNR2HDAC1HDAC3
SCHEMBL17757571 0.89 VNN1 (0.43) CNR1CNR2HDAC1HDAC3HDAC2
SCHEMBL17757589 0.87 WDR5 (0.40) WDR5CNR1CNR2HDAC1HDAC3
SCHEMBL19523089 0.86 FYN (0.38) WDR5CYP1A2CYP2C19ALDH1A1CYP3A4
SCHEMBL17757581 0.86 ACAT2 (0.35) P2RX7EGFR
SCHEMBL17757314 0.86 ACAT2 (0.42) WDR5CNR1CNR2HDAC1HDAC3

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 WDR5 2138/4885CNR1 1571/4885CNR2 2005/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 WDR5 2366/4885CNR1 1340/4885CNR2 1897/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 WDR5 2414/4885CNR1 1392/4885CNR2 1933/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 WDR5 2366/4885CNR1 1340/4885CNR2 1897/4885

“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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