SCHEMBL17757784

SCHEMBL17757784

NC(=O)c1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCNCC1)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.43
▸ ACAT2 Q9BWD1 1/20 0.41
▸ RPS6KB1 P23443 2/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CD38 P28907 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ MAPK3 P27361 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ WDR5 P61964 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ CNR1 P21554 1/20 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
SCHEMBL17757318 0.94 VNN1 (0.44) VNN1ACAT2RPS6KB1HDAC1HDAC3
SCHEMBL17757612 0.92 VNN1 (0.43) VNN1RPS6KB1HDAC1HDAC3HDAC2
SCHEMBL17757571 0.91 VNN1 (0.43) VNN1RPS6KB1HDAC1HDAC3HDAC2
SCHEMBL17757069 0.90 VNN1 (0.42) VNN1RPS6KB1HDAC1HDAC3HDAC2
SCHEMBL17757781 0.89 ACAT2 (0.40) ACAT2HDAC1HDAC3HDAC2HDAC6
SCHEMBL17757788 0.89 ACAT2 (0.41) ACAT2HDAC1HDAC3HDAC2HDAC6
SCHEMBL17757760 0.88 ACAT2 (0.44) VNN1ACAT2RPS6KB1HDAC1HDAC3
SCHEMBL17757321 0.88 ACAT2 (0.47) ACAT2HDAC1HDAC3HDAC2HDAC6
SCHEMBL17757604 0.86 VNN1 (0.45) VNN1RPS6KB1HDAC1HDAC3HDAC2
SCHEMBL17757408 0.85 VNN1 (0.44) VNN1RPS6KB1HDAC1HDAC3HDAC2

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 VNN1 2961/4885ACAT2 1935/4885RPS6KB1 909/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 VNN1 2337/4885ACAT2 1509/4885RPS6KB1 287/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 VNN1 2355/4885ACAT2 1431/4885RPS6KB1 281/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 VNN1 2337/4885ACAT2 1509/4885RPS6KB1 287/4885

“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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