SCHEMBL17757071

SCHEMBL17757071

Fc1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCOCC1)N2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ ICMT O60725 1/20 0.34
▸ CCNT1 O60563 3/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ FABP4 P15090 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ACAT2 Q9BWD1 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL17757336 0.93 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C19OPRM1KCNH2
SCHEMBL17757076 0.92 PIK3CA (0.40) CYP3A4CYP2D6CYP2C19OPRM1KCNH2
SCHEMBL17757609 0.90 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C19CYP1A2GRM4
SCHEMBL17757403 0.89 CYP1A2 (0.36) CYP3A4CYP2D6CYP2C19OPRM1CYP1A2
SCHEMBL17757051 0.89 PIK3CA (0.39) CYP3A4CYP2D6CYP2C19OPRM1KCNH2
SCHEMBL17757319 0.89 ACAT2 (0.44) CYP3A4CYP2D6CYP2C19CYP1A2GRM4
SCHEMBL17757077 0.88 PIK3CA (0.38) CYP3A4CYP2D6CYP2C19OPRM1KCNH2
SCHEMBL17757334 0.88 PIK3CA (0.40) CYP2D6OPRM1PIK3CAPIK3CBGRM4
SCHEMBL17757055 0.87 PIK3CA (0.40) CYP3A4CYP2D6CYP2C19OPRM1KCNH2
SCHEMBL17757330 0.87 PIK3CA (0.41) CYP3A4CYP2D6CYP2C19OPRM1KCNH2

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 CYP3A4 4048/4885CYP2D6 3686/4885CYP2C19 4386/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CYP3A4 4330/4885CYP2D6 3869/4885CYP2C19 4702/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CYP3A4 4375/4885CYP2D6 3957/4885CYP2C19 4748/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CYP3A4 4330/4885CYP2D6 3869/4885CYP2C19 4702/4885

“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