SCHEMBL19523192

SCHEMBL19523192

CNC(=O)c1cccc(CNC2=Nc3ccccc3NC23CCNCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ ROCK2 O75116 3/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ PARP1 P09874 3/20 0.35
▸ WDR5 P61964 3/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ ACAT2 Q9BWD1 1/20 0.34

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
SCHEMBL19523254 0.91 TDO2 (0.39) TDO2AURKARPS6KB1AURKBHDAC8
SCHEMBL19523235 0.90 PIK3CB (0.39) TDO2AURKARPS6KB1AURKBHDAC8
SCHEMBL19523220 0.90 TDO2 (0.38) TDO2AURKARPS6KB1AURKBHDAC8
SCHEMBL19523194 0.89 CYP2D6 (0.38) HDAC6OPRD1OPRK1
SCHEMBL17757313 0.89 MRGPRX4 (0.42) TDO2HDAC8HDAC6ACAT2
SCHEMBL19523229 0.89 HIF1A (0.44) ROCK2ROCK1SLC7A5PARP1CHRM3
SCHEMBL19523244 0.88 FYN (0.38) ROCK2ROCK1PARP1WDR5OPRM1
SCHEMBL17757322 0.86 ACAT2 (0.41) HDAC6ROCK2ROCK1WDR5CHRM3
SCHEMBL17757781 0.85 ACAT2 (0.40) HDAC6CCNCCDK8ROCK2ROCK1
SCHEMBL17992084 0.85 ACAT2 (0.36) HDAC8HDAC6ACAT2

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TDO2 2562/4885AURKA 4134/4885RPS6KB1 909/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 TDO2 2486/4885AURKA 4317/4885RPS6KB1 281/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 TDO2 2560/4885AURKA 4356/4885RPS6KB1 287/4885

“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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