SCHEMBL19523102

SCHEMBL19523102

CC(=O)Nc1cccc(CNC2=Nc3ccccc3NC23CCSCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ CDK2 P24941 1/20 0.40

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
SCHEMBL19523253 0.91 TSHR (0.44) PARP1ROCK2ROCK1PIM1PIM3
SCHEMBL19523241 0.90 PARP1 (0.42) PARP1ROCK2ROCK1PIM1PIM3
SCHEMBL19523219 0.90 PTPN1 (0.45) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL19523252 0.89 PARP1 (0.41) PARP1ROCK2ROCK1PIM1PIM3
SCHEMBL17757089 0.88 ROCK2 (0.33) PARP1ROCK2ROCK1
SCHEMBL17757412 0.87 ROCK2 (0.38) ROCK2ROCK1PIM1PIM3AURKB
SCHEMBL17992052 0.87 LMNA (0.31) PARP1
SCHEMBL17757577 0.86 ROCK2 (0.38) ROCK2ROCK1PIM1PIM3AURKB
SCHEMBL17757380 0.84 HIF1A (0.43) —
SCHEMBL17757087 0.83 APP (0.35) MAPK1CLK4ALDH1A1MAPTRAB9A

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 PARP1 1702/4885ROCK2 2483/4885ROCK1 2070/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 PARP1 1066/4885ROCK2 2343/4885ROCK1 1763/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 PARP1 1078/4885ROCK2 2411/4885ROCK1 1791/4885

“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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