SCHEMBL17757589

SCHEMBL17757589

CN(C)C(=O)c1ccc2c(c1)NC1(CCCCC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 5/20 0.37
▸ CYP2C19 P33261 5/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL17757624 0.94 WDR5 (0.39) WDR5TP53CYP3A4CYP2C19CYP1A2
SCHEMBL17757402 0.93 WDR5 (0.40) WDR5TP53CYP3A4CYP2C19CYP1A2
SCHEMBL17757314 0.92 ACAT2 (0.42) WDR5TP53CYP3A4CYP2C19CYP1A2
SCHEMBL17757341 0.91 WDR5 (0.39) WDR5CYP3A4CYP2C19CYP1A2ALDH1A1
SCHEMBL17757417 0.89 CYP3A4 (0.37) WDR5TP53CYP3A4CYP2C19CYP2C9
SCHEMBL17757604 0.89 VNN1 (0.45) TP53CYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL17757603 0.88 PTK2 (0.41) WDR5TP53CYP3A4CYP2C19MAPK1
SCHEMBL17757570 0.87 WDR5 (0.39) WDR5CYP3A4CYP2C19CYP1A2ALDH1A1
SCHEMBL19523258 0.86 CYP1A2 (0.37) CYP3A4CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL17757788 0.86 ACAT2 (0.41) WDR5CYP3A4CYP2C19CYP1A2ALDH1A1

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 7 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-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 2138/4885TP53 1888/4885CYP3A4 4048/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 WDR5 2366/4885TP53 1701/4885CYP3A4 4330/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 WDR5 2414/4885TP53 1659/4885CYP3A4 4375/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 WDR5 2366/4885TP53 1701/4885CYP3A4 4330/4885

“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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