SCHEMBL17757911

SCHEMBL17757911

COCCc1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCCCC1)N2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 1/20 0.38
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ NOS3 P29474 5/20 0.35
▸ NOS1 P29475 5/20 0.35
▸ NOS2 P35228 5/20 0.35
▸ PDE7B Q9NP56 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ C3AR1 Q16581 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MAPK8 P45983 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
SCHEMBL17757615 0.94 LPAR1 (0.38) LPAR1EIF2AK1NOS3NOS1NOS2
SCHEMBL17757575 0.92 EIF2AK1 (0.35) LPAR1EIF2AK1NOS3NOS1NOS2
SCHEMBL17757793 0.92 ACAT2 (0.41) LPAR1EIF2AK1NOS3NOS1NOS2
SCHEMBL17757078 0.91 PIK3CA (0.35) LPAR1EIF2AK1NOS3NOS1NOS2
SCHEMBL17757444 0.89 PDE7B (0.34) LPAR1EIF2AK1NOS3NOS1NOS2
SCHEMBL17757913 0.87 TAAR1 (0.46) NOS3NOS1NOS2GRM4CYP3A4
SCHEMBL17757625 0.86 GRM4 (0.38) EIF2AK1NOS3NOS1NOS2GRM4
SCHEMBL17757605 0.86 KMT2A (0.41) EIF2AK1PDE7BRXFP1RAF1MAPK1
SCHEMBL17757306 0.85 ACAT2 (0.41) LPAR1EIF2AK1NOS3NOS1NOS2
SCHEMBL17757407 0.85 C3AR1 (0.34) LPAR1EIF2AK1NOS3NOS1NOS2

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 LPAR1 901/4885EIF2AK1 2616/4885NOS3 1361/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 LPAR1 879/4885EIF2AK1 1926/4885NOS3 1412/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 LPAR1 865/4885EIF2AK1 1885/4885NOS3 1398/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 LPAR1 879/4885EIF2AK1 1926/4885NOS3 1412/4885

“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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