SCHEMBL17758090

SCHEMBL17758090

Cc1cccc(CNC2=Nc3cc(Cl)c(Cl)cc3NC23CCOCC3)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ CYP2D6 P10635 5/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CLK4 Q9HAZ1 4/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ OPRM1 P35372 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ICMT O60725 1/20 0.33
▸ CXCR4 P61073 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
SCHEMBL17757055 0.90 PIK3CA (0.40) KCNN3CYP2D6CYP3A4CYP2C19PIK3CA
SCHEMBL17758109 0.90 CYP1A2 (0.39) KCNN3BRD4BRD9CYP2D6CYP1A2
SCHEMBL17758102 0.90 CYP1A2 (0.39) KCNN3BRD4BRD9CYP2D6CYP1A2
SCHEMBL17757519 0.89 CTSB (0.37) KCNN3BRD4BRD9CYP2D6CYP1A2
SCHEMBL17758076 0.89 PIK3CB (0.36) TSHRPIK3CAPIK3CBICMT
SCHEMBL17757044 0.87 PDE2A (0.38) KCNN3BRD4BRD9PDE2ACYP2D6
SCHEMBL17757060 0.84 PIK3CA (0.39) KCNN3PDE2ACYP2D6CYP3A4CYP2C19
SCHEMBL17757330 0.81 PIK3CA (0.41) KCNN3CYP2D6CYP3A4CYP2C19PIK3CA
SCHEMBL17757076 0.81 PIK3CA (0.40) KCNN3CYP2D6CYP3A4CYP2C19PIK3CA
SCHEMBL17758078 0.80 PIK3CB (0.38) PDE2ATSHRPIK3CAPIK3CB

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 KCNN3 2858/4885BRD4 1950/4885BRD9 3297/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KCNN3 3547/4885BRD4 1513/4885BRD9 2250/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KCNN3 3656/4885BRD4 1535/4885BRD9 2288/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KCNN3 3547/4885BRD4 1513/4885BRD9 2250/4885

“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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