SCHEMBL17757966

SCHEMBL17757966

CN(C)CCN1/C(=N/Cc2cccc(Cl)c2)C2(CCN(C)CC2)Nc2cnc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ PLK1 P53350 2/20 0.30
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ ITGAL P20701 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ PLK3 Q9H4B4 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
SCHEMBL17757988 0.93 ACAT2 (0.39) ACAT2SIGMAR1TAAR1ADORA2AADORA1
SCHEMBL17757961 0.88 ACAT2 (0.39) ACAT2SIGMAR1TAAR1ITGB2ICAM1
SCHEMBL17757981 0.81 SCN5A (0.33) ACAT2SIGMAR1ITGB2ICAM1ITGAL
SCHEMBL17757279 0.79 ACAT2 (0.50) ACAT2SIGMAR1TAAR1ITGB2ICAM1
SCHEMBL17757960 0.76 ACAT2 (0.39) ACAT2SIGMAR1HRH4
SCHEMBL17757268 0.75 ACAT2 (0.46) ACAT2SIGMAR1HRH4
SCHEMBL17757949 0.73 ACAT2 (0.43) ACAT2SIGMAR1HRH4
SCHEMBL17757974 0.72 ACAT2 (0.42) ACAT2SIGMAR1
SCHEMBL17757979 0.71 ACAT2 (0.42) ACAT2ITGB2ICAM1ITGAL
SCHEMBL17757262 0.70 ACAT2 (0.35) ACAT2

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 1935/4885SIGMAR1 360/4885TAAR1 465/4885

“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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