SCHEMBL17757693

SCHEMBL17757693

c1ccc(CNC2=Nc3c[nH]cc3NC23CCCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ASPH Q12797 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ HPGD P15428 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
SCHEMBL14398518 0.86 KMT2A (0.41) KMT2ATSHRKDM4EMAPT
SCHEMBL17757467 0.86 KMT2A (0.41) KMT2ATSHRKDM4EMAPT
SCHEMBL17757653 0.86 KMT2A (0.41) KMT2ATSHRKDM4EMAPT
SCHEMBL17757634 0.85 KMT2A (0.39) KMT2ATSHRKDM4EMAPT
SCHEMBL17757164 0.83 KMT2A (0.39) KMT2ATSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL17757640 0.81 ACHE (0.38) KMT2ATSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL17757632 0.81 ACHE (0.38) KMT2ATSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL17757162 0.81 EGFR (0.38) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL17757157 0.81 EGFR (0.38) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL17757643 0.81 KMT2A (0.40) KMT2ATSHRLMNAALDH1A1

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 KMT2A 4518/4885TSHR 1100/4885LMNA 2101/4885

“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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