SCHEMBL17757562

SCHEMBL17757562

N#Cc1cccc2c1NC1(CCSCC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PRKCQ Q04759 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ EIF2AK1 Q9BQI3 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ TMIGD3 P0DMS9 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ FABP4 P15090 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
SCHEMBL17757458 0.91 KMT2A (0.40) KMT2AMEN1PRKCQNPSR1VNN1
SCHEMBL17757769 0.90 ACAT2 (0.39) KMT2AMEN1PRKCQNPSR1VNN1
SCHEMBL17758063 0.89 MEN1 (0.39) KMT2AMEN1PRKCQNPSR1VNN1
SCHEMBL17757833 0.89 KMT2A (0.42) KMT2AMEN1PRKCQNPSR1VNN1
SCHEMBL17757827 0.87 KMT2A (0.41) KMT2AMEN1PRKCQNPSR1VNN1
SCHEMBL17757566 0.87 P2RX7 (0.36) KMT2AMEN1GRM4CDC7DBF4
SCHEMBL17757573 0.85 KMT2A (0.41) KMT2AMEN1PRKCQNPSR1VNN1
SCHEMBL17757552 0.85 FABP4 (0.35) KMT2AMEN1GRM4CDC7DBF4
SCHEMBL17757567 0.85 HDAC3 (0.35) KMT2AMEN1GRM4CDC7DBF4
SCHEMBL17757409 0.83 MEN1 (0.41) KMT2AMEN1PRKCQVNN1GRM4

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 KMT2A 4518/4885MEN1 3860/4885PRKCQ 3120/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885MEN1 3824/4885PRKCQ 1830/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KMT2A 4285/4885MEN1 3958/4885PRKCQ 1803/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885MEN1 3824/4885PRKCQ 1830/4885

“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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