SCHEMBL17757393

SCHEMBL17757393

FC(F)(F)Oc1ccc(CNC2=Nc3ccccc3NC23CCSCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ GPR39 O43194 2/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ BCHE P06276 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ VNN1 O95497 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KCNN3 Q9UGI6 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ MMP3 P08254 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
SCHEMBL17757420 0.90 KDM1A (0.37) MAPK8MAPK10KDM1AGPR39NTRK1
SCHEMBL17757371 0.89 DRD2 (0.39) P2RX7KCNN3
SCHEMBL17757311 0.89 MMP3 (0.40) MAPK8MAPK10KDM1AGPR39NTRK1
SCHEMBL17757224 0.88 MAPK8 (0.36) MAPK8MAPK10KDM1AGPR39NTRK1
SCHEMBL17758051 0.87 HIF1A (0.37) SMN1; SMN2MAPT
SCHEMBL17757082 0.87 EPHX2 (0.38) MAPK10KDM1AACHEHDAC1
SCHEMBL17757377 0.87 FFAR1 (0.34) HTTSMN1; SMN2
SCHEMBL17758054 0.85 KCNH3 (0.34) MAPK8MAPK10SMN1; SMN2MAPT
SCHEMBL17757846 0.85 LMNA (0.39) ACHEHTTSMN1; SMN2MAPTMMP3
SCHEMBL17757368 0.85 HDAC3 (0.39) NTRK1HDAC1P2RX7KCNN3HTR2C

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 MAPK8 1472/4885MAPK10 1240/4885KDM1A 4013/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MAPK8 765/4885MAPK10 655/4885KDM1A 3979/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 MAPK8 762/4885MAPK10 652/4885KDM1A 3981/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MAPK8 765/4885MAPK10 655/4885KDM1A 3979/4885

“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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