SCHEMBL3148928

SCHEMBL3148928

COc1cnc2ncccc2c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.41
NSD2 O96028 1/20 0.39
CASP6 P55212 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
NFE2L2 Q16236 2/20 0.38
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL3268177 0.78 NPC1 (0.40) ERN1NSD2CASP6G6PDKMT2A
SCHEMBL3156135 0.78 ERN1 (0.58) ERN1ALDH1A1KDM4EGAA
SCHEMBL3147190 0.77 L3MBTL1 (0.42) NSD2CASP6G6PDKDM4EHSD17B10
SCHEMBL3374427 0.76 ERN1 (0.59) ERN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3152417 0.76 ERN1 (0.42) ERN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL3153002 0.76 ERN1 (0.42) ERN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL19036712 0.72 SYK (0.49) NSD2CASP6G6PDKDM4EMAOB
SCHEMBL30940274 0.72 SYK (0.49) NSD2CASP6G6PDKDM4EMAOB
SCHEMBL15415344 0.72 XIAP (0.40) NSD2CASP6G6PDKMT2AALDH1A1
SCHEMBL28171834 0.72 ERN1 (0.50) ERN1NSD2CASP6G6PDKMT2A

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 11 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
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
EP-1836211-A1 MACROLIDES Pfizer Products Incorporated (US) 2007-09-26 EP disclosed
WO-2006067589-A1 MACROLIDES PFIZER PRODUCTS INC. (US) 2006-06-29 WO disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US 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 (2 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 ERN1 476/4885NSD2 3084/4885CASP6 543/4885
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B ERN1 2063/4885NSD2 1218/4885CASP6 1887/4885

“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.