SCHEMBL17757860

SCHEMBL17757860

Fc1cc(CNC2=Nc3ccccc3NC23CCCCC3)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ SLC6A3 Q01959 3/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ACAT2 Q9BWD1 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ PDE7B Q9NP56 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ GRM4 Q14833 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
SCHEMBL17757875 0.92 GRM4 (0.39) DYRK1ACLK4SLC6A3SLC6A4ALDH1A1
SCHEMBL17757169 0.91 ACAT2 (0.38) DYRK1ACLK4P2RX7ACAT2CCNT1
SCHEMBL17757637 0.90 LMNA (0.42) DYRK1ACLK4SLC6A3SLC6A4ALDH1A1
SCHEMBL17757227 0.90 DYRK1A (0.34) DYRK1ACLK4P2RX7ALDH1A1LMNA
SCHEMBL17757374 0.90 P2RX7 (0.33) DYRK1ACLK4P2RX7ACAT2GRM4
SCHEMBL17757870 0.85 KMT2A (0.34) SLC6A3SLC6A4ACAT2SLC6A2PDE7A
SCHEMBL17757869 0.85 PARP1 (0.35) DYRK1ACLK4ALDH1A1LMNAHTT
SCHEMBL17757627 0.85 KDM4E (0.37) ALDH1A1LMNAACAT2PDE7AKMT2A
SCHEMBL17757239 0.85 ALDH1A1 (0.41) ALDH1A1LMNAACAT2KMT2A
SCHEMBL17757231 0.85 KDM4E (0.37) ALDH1A1LMNAACAT2PDE7AKMT2A

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 DYRK1A 2648/4885CLK4 1824/4885SLC6A3 2217/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 DYRK1A 2342/4885CLK4 1983/4885SLC6A3 2849/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 DYRK1A 2329/4885CLK4 2008/4885SLC6A3 2846/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 DYRK1A 2342/4885CLK4 1983/4885SLC6A3 2849/4885

“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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