SCHEMBL17992029

SCHEMBL17992029

CN(C)Cc1cccc(CNC2=Nc3ccccc3NC23CCCCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ACAT2 Q9BWD1 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PARP1 P09874 4/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31

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
SCHEMBL17992090 0.91 ACAT2 (0.36) NOS1NOS2ACAT2CYP1A2CYP3A4
SCHEMBL19523248 0.90 ACAT2 (0.37) ACAT2TSHRKMT2AMEN1
SCHEMBL17992082 0.90 NOS1 (0.34) NOS1NOS2ACAT2CYP1A2CYP3A4
SCHEMBL17992111 0.90 NOS1 (0.34) NOS1NOS2CYP1A2CYP3A4CYP2D6
SCHEMBL17992093 0.88 NPC1 (0.39) NOS1ACAT2CYP1A2CYP3A4CYP2D6
SCHEMBL17757120 0.86 PIM1 (0.35) ACAT2TSHRSMN1; SMN2KMT2APARP1
SCHEMBL17992068 0.86 KMT2A (0.33) ACAT2TSHRSMN1; SMN2KMT2APARP1
SCHEMBL17757114 0.86 ACAT2 (0.39) NOS2ACAT2CYP1A2CYP3A4CYP2D6
SCHEMBL17757466 0.85 KMT2A (0.35) ACAT2TSHRKMT2APARP1MEN1
SCHEMBL14398518 0.84 KMT2A (0.41) ACAT2MAPK1TSHRKMT2AKDM4E

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 6 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
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — 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 (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 NOS1 952/4885NOS2 1464/4885ACAT2 1935/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 NOS1 1007/4885NOS2 1559/4885ACAT2 1509/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 NOS1 1016/4885NOS2 1539/4885ACAT2 1431/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 NOS1 1007/4885NOS2 1559/4885ACAT2 1509/4885

“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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