SCHEMBL17757654

SCHEMBL17757654

Fc1cccc(F)c1CNC1=Nc2cc(Cl)c(Cl)cc2NC12CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE7A Q13946 3/20 0.33
▸ STIM1 Q13586 2/20 0.33
▸ ORAI1 Q96D31 2/20 0.33
▸ LCK P06239 4/20 0.33
▸ BTK Q06187 4/20 0.33
▸ MAPK14 Q16539 4/20 0.33
▸ TP53 P04637 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ BMX P51813 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL17758108 0.84 KMT2A (0.38) KMT2AL3MBTL1PDE7ASTIM1ORAI1
SCHEMBL17757629 0.84 KMT2A (0.38) KMT2AL3MBTL1PDE7ASTIM1ORAI1
SCHEMBL17757639 0.83 GAA (0.37) MAPTALDH1A1PDE7ARAB9A
SCHEMBL17757626 0.83 KMT2A (0.40) KMT2AALDH1A1MAPK1PDE7A
SCHEMBL17757643 0.83 KMT2A (0.40) KMT2AALDH1A1MAPK1PDE7A
SCHEMBL17757638 0.83 KMT2A (0.40) KMT2AALDH1A1MAPK1PDE7A
SCHEMBL17992110 0.83 MAPK14 (0.36) KMT2AKDM4EALDH1A1PDE7AMAPK14
SCHEMBL17757642 0.83 MAOB (0.36) KMT2AMAPT
SCHEMBL17757436 0.83 MAOB (0.36) KMT2AMAPT
SCHEMBL17758102 0.81 CYP1A2 (0.39) KMT2AMAPTMEN1ALDH1A1

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 KMT2A 4518/4885MAPT 3617/4885KDM4E 3781/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885MAPT 4056/4885KDM4E 3430/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KMT2A 4285/4885MAPT 4096/4885KDM4E 3446/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885MAPT 4056/4885KDM4E 3430/4885

“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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