SCHEMBL17757262

SCHEMBL17757262

CN1CCC2(CC1)Nc1cc3c(cc1N(Cc1ccncc1)/C2=N/Cc1cccc(Cl)c1)OC(F)(F)O3

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.35
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ IDE P14735 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
SCHEMBL17757960 0.73 ACAT2 (0.39) ACAT2POLBMEN1KMT2A
SCHEMBL17757961 0.73 ACAT2 (0.39) ACAT2MEN1KMT2AKDM4ELMNA
SCHEMBL17757949 0.73 ACAT2 (0.43) ACAT2MEN1KMT2AMAPT
SCHEMBL17757974 0.71 ACAT2 (0.42) ACAT2MEN1KMT2AKDM4ELMNA
SCHEMBL17757988 0.70 ACAT2 (0.39) ACAT2
SCHEMBL17757966 0.70 ACAT2 (0.39) ACAT2
SCHEMBL17757268 0.69 ACAT2 (0.46) ACAT2MEN1KMT2AHPGDMAPT
SCHEMBL17758128 0.68 HRH4 (0.38) —
SCHEMBL21982537 0.66 ACAT2 (0.54) ACAT2MEN1KMT2ADRD2
SCHEMBL17757264 0.66 ACAT2 (0.40) ACAT2MEN1KMT2ALMNASMN1; SMN2

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 1935/4885POLB 4543/4885MEN1 3860/4885

“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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