SCHEMBL17757731

SCHEMBL17757731

FC(F)(F)c1cccc(CNC2=Nc3ccccc3NC23CCNCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.42
▸ APP P05067 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39

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
SCHEMBL17757848 0.91 SMN1; SMN2 (0.49) APPSMN1; SMN2PARP1CHEK1DAPK3
SCHEMBL17758101 0.91 SMN1; SMN2 (0.49) APPSMN1; SMN2PARP1CHEK1DAPK3
SCHEMBL17758059 0.89 APP (0.39) APPSMN1; SMN2PARP1CHEK1DAPK3
SCHEMBL17757079 0.89 APP (0.39) APPSMN1; SMN2PARP1CHEK1DAPK3
SCHEMBL17757730 0.89 TACR1 (0.39) TACR1APPFPR2
SCHEMBL17757025 0.88 TACR1 (0.41) TACR1APPHTR2CHTR2BSMN1; SMN2
SCHEMBL17757214 0.87 HRH4 (0.41) TACR1APPSMN1; SMN2PARP1CHEK1
SCHEMBL17757010 0.87 TACR1 (0.38) TACR1APPHTR2CHTR2BSMN1; SMN2
SCHEMBL17757045 0.87 TACR1 (0.38) TACR1APPHTR2CHTR2BSMN1; SMN2
SCHEMBL17757037 0.87 TACR1 (0.40) TACR1APPSMN1; SMN2RXFP1SLC6A4

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 TACR1 310/4885APP 654/4885HTR2C 2023/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 TACR1 983/4885APP 897/4885HTR2C 2770/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 TACR1 1018/4885APP 975/4885HTR2C 2785/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 TACR1 983/4885APP 897/4885HTR2C 2770/4885

“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.

Send feedback