SCHEMBL17757270

SCHEMBL17757270

COCCOc1cc2c(cc1OCCOC)NC1(CCN(C)CC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LPAR1 Q92633 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL17757969 0.85 CCNT1 (0.37) CCNT1CDK9HRH4EIF2AK1MAOB
SCHEMBL17757971 0.85 CCNT1 (0.35) CCNT1CDK9HRH4EIF2AK1MAOB
SCHEMBL21982511 0.85 HRH4 (0.42) CCNT1CDK9HRH4EIF2AK1MAOB
SCHEMBL17758132 0.83 HRH4 (0.39) CCNT1CDK9HRH4EIF2AK1MAOB
SCHEMBL17758116 0.83 HRH4 (0.39) CCNT1CDK9HRH4EIF2AK1MAPK1
SCHEMBL17757976 0.82 CCNT1 (0.37) CCNT1CDK9HRH4THRBGAA
SCHEMBL17757978 0.82 HRH4 (0.37) CCNT1CDK9HRH4HTTTHRB
SCHEMBL17757746 0.82 HRH4 (0.42) CCNT1CDK9HRH4MAPK1MAOB
SCHEMBL17757877 0.80 EIF2AK1 (0.43) EIF2AK1RAF1MAPK1HTTLPAR1
SCHEMBL17757187 0.80 ACHE (0.36) HRH4EIF2AK1MAOBHTR6

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 CCNT1 4252/4885CDK9 3993/4885HRH4 3044/4885

“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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