SCHEMBL17757655

SCHEMBL17757655

Fc1ccc(CNC2=Nc3ccccc3NC23CCCCCC3)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NTRK1 P04629 5/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CCR4 P51679 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL17757651 1.00 KMT2A (0.37) KMT2ADRD2DRD1KDM4ESMN1; SMN2
SCHEMBL17757537 0.90 DPP4 (0.39) DRD2DRD1NTRK1DPP4NTRK3
SCHEMBL17757104 0.89 PDE2A (0.36) DRD2DRD1NTRK1DPP4NTRK3
SCHEMBL17757873 0.89 KDM1A (0.37) KMT2A
SCHEMBL17757861 0.89 DRD2 (0.37) KMT2ADRD2DRD1L3MBTL1
SCHEMBL17757107 0.89 DRD2 (0.37) DRD2DRD1NTRK1DPP4NTRK3
SCHEMBL17757236 0.89 KMT2A (0.48) KMT2ASMN1; SMN2GAAL3MBTL1
SCHEMBL17992110 0.85 MAPK14 (0.36) KMT2ADRD2DRD1KDM4ESMN1; SMN2
SCHEMBL17757239 0.84 ALDH1A1 (0.41) KMT2ASMN1; SMN2
SCHEMBL17757232 0.83 SSTR3 (0.38) KMT2ASMN1; SMN2MAPK14CCNT1CDK9

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 4518/4885DRD2 2688/4885DRD1 2570/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885DRD2 3075/4885DRD1 2952/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KMT2A 4285/4885DRD2 3073/4885DRD1 2945/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885DRD2 3075/4885DRD1 2952/4885

“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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