SCHEMBL17757623

SCHEMBL17757623

CC(=O)Nc1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCCCC1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL17757621 0.94 TSHR (0.39) ROCK2MAPK1PLK4CHEK1DAPK3
SCHEMBL17757785 0.92 ACAT2 (0.40) ROCK2MAPK1PLK4CHEK1DAPK3
SCHEMBL17757577 0.92 ROCK2 (0.38) ROCK2MAPK1PLK4CHEK1DAPK3
SCHEMBL17757067 0.91 ROCK2 (0.38) ROCK2MAPK1PLK4CHEK1DAPK3
SCHEMBL17757888 0.88 CYP3A4 (0.38) RPS6KB1TSHRFSHRLMNACYP3A4
SCHEMBL17757412 0.86 ROCK2 (0.38) ROCK2MAPK1PLK4CHEK1DAPK3
SCHEMBL17757312 0.86 ACAT2 (0.41) ROCK2MAPK1PLK4CHEK1DAPK3
SCHEMBL17757625 0.86 GRM4 (0.38) CHEK1CDK1CYP3A4CYP2C9CYP2C19
SCHEMBL19523253 0.85 TSHR (0.44) ROCK2MAPK1PLK4CHEK1DAPK3
SCHEMBL17757343 0.85 LMNA (0.37) ROCK2MAPK1PLK4CHEK1DAPK3

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 ROCK2 2483/4885MAPK1 691/4885PLK4 1428/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ROCK2 2411/4885MAPK1 703/4885PLK4 1631/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ROCK2 2343/4885MAPK1 701/4885PLK4 1597/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ROCK2 2411/4885MAPK1 703/4885PLK4 1631/4885

“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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