SCHEMBL17757900

SCHEMBL17757900

Fc1ccc(F)c2c1N=C(NCc1cccc(Cl)c1)C1(CCCCC1)N2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ TMIGD3 P0DMS9 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDE7A Q13946 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL17757830 0.90 CDC7 (0.36) CCNT1CDK9CDC7DBF4TMIGD3
SCHEMBL17758023 0.90 ACAT2 (0.42) CCNT1CDK9CDC7DBF4TMIGD3
SCHEMBL17757058 0.89 PIK3CA (0.40) CCNT1CDK9CDC7DBF4TMIGD3
SCHEMBL17757887 0.89 ACAT2 (0.37) CCNT1CDK9CDC7DBF4TMIGD3
SCHEMBL17757462 0.88 CCNT1 (0.37) CCNT1CDK9CDC7DBF4TMIGD3
SCHEMBL17757438 0.86 CDC7 (0.38) CDC7DBF4TMIGD3HTR2BHTR2C
SCHEMBL17757884 0.84 MAOB (0.37) CDC7DBF4TMIGD3HTR2BHTR2C
SCHEMBL17757453 0.84 CYP3A4 (0.36) CCNT1CDK9CDC7DBF4MAOB
SCHEMBL17757885 0.83 CCNT1 (0.36) CCNT1CDK9CDC7DBF4TMIGD3
SCHEMBL17757890 0.83 PDE7A (0.38) CCNT1CDC7DBF4TMIGD3HTR2B

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 CCNT1 4252/4885CDK9 3993/4885CDC7 3562/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CCNT1 4420/4885CDK9 2877/4885CDC7 3523/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CCNT1 4410/4885CDK9 2833/4885CDC7 3470/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CCNT1 4420/4885CDK9 2877/4885CDC7 3523/4885

“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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