SCHEMBL17757042

SCHEMBL17757042

Cc1cc2c(cc1C)NC1(CCNCC1)C(NCc1cccc(F)c1)=N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.36
▸ CDK9 P50750 6/20 0.35
▸ CCNT1 O60563 8/20 0.35
▸ PAK4 O96013 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ GRK5 P34947 1/20 0.33

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
SCHEMBL17757803 0.90 CTSS (0.40) CLK4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL17757204 0.88 ACAT2 (0.36) CLK4GAATP53MAPTKDM4E
SCHEMBL17758028 0.88 ACAT2 (0.45) CDK9CCNT1HTR6
SCHEMBL17757010 0.87 TACR1 (0.38) CLK4DAPK3ABL1PRKACACLK2
SCHEMBL17757722 0.86 ACAT2 (0.38) SSTR3CDK9CCNT1PAK4CLK4
SCHEMBL17757800 0.83 OPRM1 (0.35) —
SCHEMBL17757506 0.82 PRMT5 (0.37) CLK4MAP4K4PRKACACLK2GSK3A
SCHEMBL17757209 0.82 POLB (0.35) SSTR3LRRK2PLK4MAPTCYP1A2
SCHEMBL17757773 0.82 ACAT2 (0.45) CDK9CCNT1CLK4CYP1A2CYP3A4
SCHEMBL17757319 0.81 ACAT2 (0.44) CDK9CCNT1CLK4MAPK8CYP1A2

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 SSTR3 1703/4885CDK9 3993/4885CCNT1 4252/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 SSTR3 2741/4885CDK9 2877/4885CCNT1 4420/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 SSTR3 2821/4885CDK9 2833/4885CCNT1 4410/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 SSTR3 2741/4885CDK9 2877/4885CCNT1 4420/4885

“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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