SCHEMBL17757371

SCHEMBL17757371

FC(F)(F)Oc1cccc(CNC2=Nc3ccccc3NC23CCSCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ KCNN3 Q9UGI6 1/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ ROCK1 Q13464 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ CARM1 Q86X55 2/20 0.35
▸ PRMT6 Q96LA8 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ AKT2 P31751 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
SCHEMBL17757308 0.90 TACR1 (0.46) DRD2DRD1KDM5AKDM4CKDM5B
SCHEMBL17757393 0.89 MAPK8 (0.36) KCNN3P2RX7
SCHEMBL17757228 0.89 KCNN3 (0.39) DRD2DRD1KDM5AKDM4CKDM5B
SCHEMBL17758072 0.87 HIF1A (0.40) —
SCHEMBL17757367 0.87 FFAR1 (0.38) —
SCHEMBL17757079 0.85 APP (0.39) KCNN3ROCK1ROCK2AKT2
SCHEMBL17758053 0.84 MEN1 (0.36) KDM5AKDM4CKDM5BROCK1MAPK14
SCHEMBL17758049 0.83 ACAT2 (0.43) —
SCHEMBL17757846 0.82 LMNA (0.39) —
SCHEMBL17757368 0.82 HDAC3 (0.39) KCNN3TACR1P2RX7AKT2

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 DRD2 2688/4885DRD1 2570/4885KDM5A 3500/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 DRD2 3075/4885DRD1 2952/4885KDM5A 3784/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 DRD2 3073/4885DRD1 2945/4885KDM5A 3820/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 DRD2 3075/4885DRD1 2952/4885KDM5A 3784/4885

“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