SCHEMBL17757236

SCHEMBL17757236

Fc1ccccc1CNC1=Nc2ccccc2NC12CCCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 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
SCHEMBL17757720 0.89 ACAT2 (0.39) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL17757655 0.89 KMT2A (0.37) KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL17757651 0.89 KMT2A (0.37) KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL17757324 0.88 CYP2A13 (0.36) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL17758045 0.88 KMT2A (0.36) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL17757629 0.88 KMT2A (0.38) KMT2AL3MBTL1
SCHEMBL17758108 0.88 KMT2A (0.38) KMT2AL3MBTL1
SCHEMBL17757861 0.87 DRD2 (0.37) KMT2AMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL17757873 0.87 KDM1A (0.37) KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL17757459 0.87 PDE7A (0.39) KMT2AALDH1A1CYP2C19GAATP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 — — EP disclosed
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
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — WO 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 KMT2A 4518/4885MEN1 3860/4885ALDH1A1 2889/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885MEN1 3824/4885ALDH1A1 3830/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KMT2A 4285/4885MEN1 3958/4885ALDH1A1 3845/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KMT2A 4303/4885MEN1 3824/4885ALDH1A1 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.

Send feedback