SCHEMBL17757253

SCHEMBL17757253

CN(C)CCOc1ncc2c(n1)N=C(NCc1cccc(Cl)c1)C1(CCN(C)CC1)N2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.38
▸ CCNT1 O60563 3/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ BRD4 O60885 7/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32

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
SCHEMBL17758116 0.91 HRH4 (0.39) HRH4CCNT1CDK9PDE2AFLT3
SCHEMBL17757258 0.88 HRH4 (0.38) HRH4CCNT1CDK9PDE2AFLT3
SCHEMBL17758127 0.86 HRH4 (0.38) HRH4CCNT1CDK9FLT3GAA
SCHEMBL17757969 0.82 CCNT1 (0.37) HRH4CCNT1CDK9BRD4BRD2
SCHEMBL17757971 0.82 CCNT1 (0.35) HRH4CCNT1CDK9BRD4BRD2
SCHEMBL17758132 0.78 HRH4 (0.39) HRH4CCNT1CDK9PDE2AFLT3
SCHEMBL17758121 0.77 ACAT2 (0.40) CCNT1CDK9BRD4
SCHEMBL17758123 0.75 ACAT2 (0.38) CCNT1BRD4
SCHEMBL17757746 0.75 HRH4 (0.42) HRH4CCNT1CDK9PDE2AMAPT
SCHEMBL21982511 0.74 HRH4 (0.42) HRH4CCNT1CDK9PDE2AFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 HRH4 3044/4885CCNT1 4252/4885CDK9 3993/4885

“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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