SCHEMBL17757581

SCHEMBL17757581

CN(C)c1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCSCC1)N2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.35
▸ GRM4 Q14833 1/20 0.34
▸ EIF2AK1 Q9BQI3 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTR6 P50406 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
SCHEMBL17757401 0.94 ACAT2 (0.35) ACAT2GRM4EIF2AK1ADRA2AADRA2B
SCHEMBL17757610 0.91 NPC1 (0.36) ACAT2GRM4EIF2AK1ADRA2AADRA2B
SCHEMBL17757780 0.90 ACAT2 (0.43) ACAT2GRM4EIF2AK1ADRA2AADRA2B
SCHEMBL17757415 0.90 ACAT2 (0.38) ACAT2GRM4EIF2AK1MEN1KMT2A
SCHEMBL17757073 0.90 PIK3CA (0.37) ACAT2GRM4EIF2AK1ADRA2AADRA2B
SCHEMBL17757548 0.89 ACAT2 (0.35) ACAT2GRM4EIF2AK1MEN1KMT2A
SCHEMBL17757576 0.87 TAAR1 (0.45) ACAT2GRM4EIF2AK1C3AR1
SCHEMBL17757570 0.86 WDR5 (0.39) P2RX7EGFR
SCHEMBL17992116 0.86 EGFR (0.34) ACAT2ADRA2AADRA2BADRA2CEGFR
SCHEMBL17757403 0.86 CYP1A2 (0.36) ACAT2GRM4EIF2AK1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACAT2 1935/4885GRM4 892/4885EIF2AK1 2616/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885GRM4 676/4885EIF2AK1 1926/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885GRM4 658/4885EIF2AK1 1885/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885GRM4 676/4885EIF2AK1 1926/4885

“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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