SCHEMBL19523089

SCHEMBL19523089

CN(C)C(=O)c1cccc(CNC2=Nc3ccccc3NC23CCSCC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37
▸ ROCK2 O75116 3/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ CYP1A2 P05177 6/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19523258 0.92 CYP1A2 (0.37) FYNLIPGROCK2CYP1A2CYP2C19
SCHEMBL19523244 0.91 FYN (0.38) FYNLIPGROCK2WDR5CYP1A2
SCHEMBL19523217 0.90 PIK3CB (0.40) FYNLIPGROCK2WDR5CYP1A2
SCHEMBL19523271 0.90 CYP1A2 (0.39) FYNCYP1A2CYP2C19HSD17B10HPGD
SCHEMBL17757380 0.90 HIF1A (0.43) LMNAHIF1A
SCHEMBL19523220 0.89 TDO2 (0.38) ROCK2WDR5ROCK1OPRM1PARP1
SCHEMBL17757402 0.87 WDR5 (0.40) WDR5CYP1A2CYP2C19HSD17B10HPGD
SCHEMBL17757570 0.86 WDR5 (0.39) WDR5CYP1A2CYP2C19HSD17B10HPGD
SCHEMBL17992088 0.86 LMNA (0.33) LMNAHIF1A
SCHEMBL17992116 0.85 EGFR (0.34) NAMPT

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 FYN 3526/4885LIPG 1567/4885ROCK2 2483/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 FYN 3675/4885LIPG 1318/4885ROCK2 2343/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 FYN 3686/4885LIPG 1349/4885ROCK2 2411/4885

“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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