SCHEMBL3939178

SCHEMBL3939178

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nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 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
SCHEMBL1562887 1.00 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1562256 0.84 ALDH1A1 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL1562258 0.84 ALDH1A1 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL3942860 0.84 ALDH1A1 (0.35) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4248258 0.83 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4248261 0.83 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4251937 0.83 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1562565 0.82 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4427707 0.82 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425484 0.82 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438599-B Targeted Notch pathway inhibitors 豪夫迈·罗氏有限公司 2021-12-10 CN disclosed
EP-3307721-B1 TARGETED NOTCH PATHWAY INHIBITORS HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-10632127-B2 Targeted notch pathway inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-10632127-B2 Targeted notch pathway inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20180200262-A1 TARGETED NOTCH PATHWAY INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20180200262-A1 TARGETED NOTCH PATHWAY INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
EP-3307721-A1 TARGETED NOTCH PATHWAY INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-04-18 EP disclosed
WO-2016198366-A1 TARGETED NOTCH PATHWAY INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-12-15 WO disclosed
WO-2016198366-A1 TARGETED NOTCH PATHWAY INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-12-15 WO disclosed
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
EP-2069317-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 US disclosed
US-7414049-B2 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US disclosed
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008034735-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 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 (4 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-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 6/4885
US-10632127-B2 Targeted notch pathway inhibitors BACE1, NOTCH1, GSAP PSEN1 15/4885PSEN2 24/4885APH1B 9/4885
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES BACE1, BACE2, APH1B PSEN1 9/4885PSEN2 13/4885APH1B 3/4885
US-20180200262-A1 TARGETED NOTCH PATHWAY INHIBITORS BACE1, NOTCH1, GSAP PSEN1 15/4885PSEN2 26/4885APH1B 9/4885

“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.