SCHEMBL17758129

SCHEMBL17758129

c1ccc2c(c1)N=C(NCc1cncnc1)C1(CCCCC1)N2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.34
▸ ACAT2 Q9BWD1 1/20 0.34
▸ VNN1 O95497 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE7A Q13946 1/20 0.32

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
SCHEMBL17755503 0.88 LTA4H (0.43) KMT2A
SCHEMBL17757467 0.88 KMT2A (0.41) SSTR3ACAT2KMT2APDE7A
SCHEMBL14398518 0.88 KMT2A (0.41) SSTR3ACAT2KMT2APDE7A
SCHEMBL17757653 0.88 KMT2A (0.41) SSTR3ACAT2KMT2APDE7A
SCHEMBL17755498 0.87 ADRA2C (0.36) SSTR3ACAT2KMT2APDE7A
SCHEMBL17757634 0.86 KMT2A (0.39) SSTR3ACAT2KMT2APDE7A
SCHEMBL17757110 0.84 ACAT2 (0.47) SSTR3ACAT2KMT2A
SCHEMBL17758110 0.84 ACAT2 (0.33) ACAT2KMT2APDE7A
SCHEMBL17758131 0.84 ACAT2 (0.33) ACAT2KMT2APDE7A
SCHEMBL17757109 0.83 ACAT2 (0.36) ACAT2KMT2APDE7A

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 SSTR3 1703/4885ACAT2 1935/4885VNN1 2961/4885

“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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