SCHEMBL19523271

SCHEMBL19523271

CN(C)C(=O)c1ccc(CNC2=Nc3ccccc3NC23CCSCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 11/20 0.39
▸ CYP3A4 P08684 9/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ CYP2D6 P10635 6/20 0.39
▸ USP2 O75604 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ HSD17B10 Q99714 7/20 0.38
▸ HPGD P15428 7/20 0.38
▸ CYP2C19 P33261 6/20 0.38
▸ TSHR P16473 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL19523228 0.91 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CYP2D6USP2
SCHEMBL19523202 0.90 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1CYP2D6USP2
SCHEMBL19523089 0.90 FYN (0.38) CYP1A2CYP3A4ALDH1A1CYP2D6USP2
SCHEMBL19523186 0.89 PIK3CB (0.39) CYP1A2CYP3A4ALDH1A1CYP2D6USP2
SCHEMBL17757383 0.89 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL19523172 0.88 CA1 (0.42) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL19523097 0.88 GPR39 (0.36) LMNATP53EPHX2NR1H4MAPT
SCHEMBL19523221 0.86 ADRA1D (0.36) CYP1A2CYP3A4CYP2D6USP2CYP2C19
SCHEMBL17992083 0.86 LMNA (0.31) ALDH1A1TSHRLMNA
SCHEMBL17992086 0.86 GAA (0.39) CYP1A2CYP3A4ALDH1A1CYP2D6MAPK1

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 CYP1A2 3995/4885CYP3A4 4048/4885ALDH1A1 2889/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CYP1A2 4621/4885CYP3A4 4375/4885ALDH1A1 3845/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CYP1A2 4579/4885CYP3A4 4330/4885ALDH1A1 3830/4885

“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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