SCHEMBL17757453

SCHEMBL17757453

Cc1ccc(C)c2c1N=C(NCc1cccc(Cl)c1)C1(CCCCC1)N2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ EGFR P00533 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
SCHEMBL17757826 0.91 MAOB (0.35) MAOBHTR6WDR5GRM4P2RX7
SCHEMBL17758030 0.91 ACAT2 (0.41) MAOBHTR6WDR5GRM4P2RX7
SCHEMBL17757059 0.90 PIK3CA (0.39) MAOBWDR5GRM4P2RX7CDC7
SCHEMBL17757438 0.85 CDC7 (0.38) CYP3A4CYP2C9CYP2C19MAOBHTR6
SCHEMBL17757900 0.84 CCNT1 (0.37) CYP3A4CYP2C9CYP2C19MAOBHTR6
SCHEMBL17757884 0.83 MAOB (0.37) CYP3A4CYP2C9CYP2C19MAOBHTR6
SCHEMBL17757896 0.82 EIF2AK1 (0.42) CYP3A4PDE7A
SCHEMBL17757904 0.82 CDC7 (0.37) CYP3A4CYP2C9CYP2C19MAOBHTR6
SCHEMBL17757479 0.82 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19MAOBHTR6
SCHEMBL17757131 0.82 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19MAOBHTR6

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
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-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 (2 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 CYP3A4 4048/4885CYP2C9 4697/4885CYP2C19 4386/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CYP3A4 4330/4885CYP2C9 4744/4885CYP2C19 4702/4885

“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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