SCHEMBL15415344

SCHEMBL15415344

COc1cnc2ncccc2c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.40
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.37
SYK P43405 2/20 0.37
PLAU P00749 1/20 0.36
NSD2 O96028 2/20 0.36
CASP6 P55212 2/20 0.36
G6PD P11413 1/20 0.36
PDE5A O76074 3/20 0.36
PDE4A P27815 2/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE1C Q14123 2/20 0.36
PDE3A Q14432 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL15414641 0.77 XIAP (0.37) XIAPMAOBLMNASYKALDH1A1
SCHEMBL3147190 0.77 L3MBTL1 (0.42) MAOBLMNASYKPLAUNSD2
SCHEMBL15414406 0.76 LMNA (0.40) XIAPLMNAPLAUL3MBTL1ALDH1A1
SCHEMBL19036712 0.72 SYK (0.49) MAOBSYKPLAUNSD2CASP6
SCHEMBL30940274 0.72 SYK (0.49) MAOBSYKPLAUNSD2CASP6
SCHEMBL3148928 0.72 ERN1 (0.41) MAOBLMNASYKNSD2CASP6
SCHEMBL23022192 0.69 JAK1 (0.46)
SCHEMBL506497 0.69 ALDH1A1 (0.55) LMNASYKPLAUL3MBTL1ALDH1A1
SCHEMBL3152669 0.68 PDE5A (0.43) MAOBLMNASYKPDE5AL3MBTL1
SCHEMBL3142699 0.68 KDM4E (0.60) MAOBLMNAPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 US disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 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-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B XIAP 762/4885MAOB 631/4885LMNA 1240/4885

“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.