SCHEMBL17757574

SCHEMBL17757574

N#Cc1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCSCC1)N2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ VNN1 O95497 1/20 0.38
▸ ACAT2 Q9BWD1 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ EGLN2 Q96KS0 2/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ PRKCQ Q04759 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ GRM5 P41594 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31

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
SCHEMBL31220870 0.93 MEN1 (0.41) MEN1KMT2AVNN1ACAT2MAPK1
SCHEMBL17757409 0.93 MEN1 (0.41) MEN1KMT2AVNN1ACAT2MAPK1
SCHEMBL17757300 0.91 ACAT2 (0.43) MEN1KMT2AVNN1ACAT2MAPK1
SCHEMBL17757614 0.91 VNN1 (0.39) MEN1KMT2AVNN1ACAT2MAPK1
SCHEMBL17757075 0.90 VNN1 (0.38) MEN1KMT2AVNN1ACAT2MAPK1
SCHEMBL17757415 0.89 ACAT2 (0.38) MEN1KMT2AACAT2GRM4MAOB
SCHEMBL17757827 0.88 KMT2A (0.41) MEN1KMT2AVNN1ACAT2GRM4
SCHEMBL17757403 0.85 CYP1A2 (0.36) MEN1KMT2AACAT2GRM4EGFR
SCHEMBL17757084 0.85 VNN1 (0.38) MEN1KMT2AVNN1MAPK1MAOB
SCHEMBL17757416 0.85 ACAT2 (0.36) MEN1KMT2AACAT2GRM4MAOB

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 MEN1 3860/4885KMT2A 4518/4885VNN1 2961/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MEN1 3824/4885KMT2A 4303/4885VNN1 2337/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 MEN1 3958/4885KMT2A 4285/4885VNN1 2355/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MEN1 3824/4885KMT2A 4303/4885VNN1 2337/4885

“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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