SCHEMBL17757272

SCHEMBL17757272

CN1/C(=N/Cc2cccc(Cl)c2)C2(CCCCC2)Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 2/20 0.50
▸ KMT2A Q03164 2/20 0.35
▸ AMPD2 Q01433 1/20 0.35
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ GHSR Q92847 4/20 0.33
▸ TSHR P16473 1/20 0.33
▸ FSHR P23945 1/20 0.33

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
SCHEMBL17757951 0.79 ACAT2 (0.56) ACAT2KMT2ACYP2C9CYP2C19GAA
SCHEMBL17757949 0.79 ACAT2 (0.43) ACAT2KMT2AAMPD2CYP2C9CYP2C19
SCHEMBL17755626 0.79 ACAT2 (0.38) ACAT2AMPD2CYP2C9CYP2C19CYP1A2
SCHEMBL17757268 0.79 ACAT2 (0.46) ACAT2KMT2AAMPD2SMN1; SMN2SIGMAR1
SCHEMBL17757269 0.76 ACAT2 (0.56) ACAT2KMT2AAMPD2GAASMN1; SMN2
SCHEMBL21982460 0.75 ACAT2 (0.43) ACAT2AMPD2GAASIGMAR1
SCHEMBL17757990 0.75 ACAT2 (0.51) ACAT2KMT2AAMPD2CYP2C9CYP2C19
SCHEMBL17757947 0.72 ACAT2 (0.36) ACAT2GAAKDM4ESIGMAR1
SCHEMBL17757965 0.72 ACAT2 (0.38) ACAT2KMT2ASIGMAR1TSHRFSHR
SCHEMBL17757987 0.72 ACAT2 (0.38) ACAT2KMT2ASIGMAR1TSHRFSHR

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 1935/4885KMT2A 4518/4885AMPD2 3495/4885

“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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