SCHEMBL17757471

SCHEMBL17757471

CN(C)c1cccc2c1NC1(CCCCC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SLC6A2 P23975 4/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PDE9A O76083 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17757563 0.91 KCNQ2 (0.35) KCNQ2CDC7DBF4CYP3A4CYP2C19
SCHEMBL17757771 0.91 ACAT2 (0.39) KCNQ2CDC7DBF4CYP3A4CYP2C19
SCHEMBL17758036 0.90 PIK3CA (0.38) KCNQ2CDC7DBF4CYP3A4CYP2C19
SCHEMBL17757904 0.88 CDC7 (0.37) KCNQ2CDC7DBF4CYP3A4CYP2C19
SCHEMBL17757899 0.87 CDC7 (0.34) KCNQ2CDC7DBF4CYP3A4CYP2C19
SCHEMBL17757476 0.86 PDE7A (0.38) CDC7DBF4CYP3A4CYP2C19CYP2C9
SCHEMBL17757909 0.85 ACAT2 (0.35) KCNQ2CDC7DBF4CYP3A4CYP2C19
SCHEMBL17757462 0.85 CCNT1 (0.37) CDC7DBF4CYP3A4CYP2C19CYP2C9
SCHEMBL17757465 0.85 PDE7A (0.36) CDC7DBF4CYP3A4CYP2C19CYP2C9
SCHEMBL17757468 0.84 EIF2AK1 (0.42) KMT2A

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 KCNQ2 3671/4885CDC7 3562/4885DBF4 4544/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KCNQ2 2633/4885CDC7 3523/4885DBF4 4237/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KCNQ2 2753/4885CDC7 3470/4885DBF4 4205/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KCNQ2 2633/4885CDC7 3523/4885DBF4 4237/4885

“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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