SCHEMBL17755509

SCHEMBL17755509

c1ccc(CNC2=Nc3ccccc3NC23CC2CCC(C3)N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ APP P05067 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 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
SCHEMBL17755508 0.88 ACAT2 (0.36) KMT2AMAPTHTTAPPACHE
SCHEMBL17757634 0.81 KMT2A (0.39) MMP3POLBRAD52KMT2AKDM4E
SCHEMBL17757126 0.81 ACAT2 (0.40) KMT2AKDM4EMAPTNPC1GAA
SCHEMBL17757128 0.81 CDK1 (0.33) MMP3POLBRAD52KMT2AKDM4E
SCHEMBL17757653 0.80 KMT2A (0.41) MMP3POLBRAD52KMT2AKDM4E
SCHEMBL17757467 0.80 KMT2A (0.41) MMP3POLBRAD52KMT2AKDM4E
SCHEMBL14398518 0.80 KMT2A (0.41) MMP3POLBRAD52KMT2AKDM4E
SCHEMBL17757203 0.79 ACAT2 (0.38) MMP3POLBRAD52KMT2AKDM4E
SCHEMBL17757807 0.78 RAB9A (0.33) KDM4EMAPTNPC1GAAMAPK1
SCHEMBL17757846 0.78 LMNA (0.39) MMP3POLBRAD52KMT2AKDM4E

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 MMP3 2447/4885POLB 4543/4885RAD52 4728/4885

“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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