SCHEMBL17757967

SCHEMBL17757967

COCCN(C)c1cc2c(cc1Cl)NC1(CCNCC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.37
▸ MAOB P27338 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ EIF2AK1 Q9BQI3 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ CRHR1 P34998 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL17757954 0.97 ACAT2 (0.37) ACAT2MAOBHTR6CCNT1EIF2AK1
SCHEMBL17757745 0.84 ACAT2 (0.43) ACAT2MAOBHTR6CCNT1EIF2AK1
SCHEMBL17758027 0.83 ACAT2 (0.47) ACAT2MAOBHTR6CCNT1
SCHEMBL17758026 0.83 ACAT2 (0.41) ACAT2MAOBHTR6CCNT1EIF2AK1
SCHEMBL17757986 0.83 ACAT2 (0.38) ACAT2MAOBHTR6CCNT1
SCHEMBL17757306 0.82 ACAT2 (0.41) ACAT2MAOBHTR6CCNT1EIF2AK1
SCHEMBL17757793 0.81 ACAT2 (0.41) ACAT2MAOBHTR6CCNT1EIF2AK1
SCHEMBL17757972 0.81 ACAT2 (0.38) ACAT2MAOBHTR6CCNT1
SCHEMBL17757742 0.81 ACAT2 (0.43) ACAT2MAOBHTR6CCNT1EIF2AK1
SCHEMBL17758126 0.81 CCNT1 (0.38) ACAT2MAOBHTR6CCNT1RXFP1

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 ACAT2 1935/4885MAOB 2633/4885HTR6 1352/4885

“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.

Send feedback