SCHEMBL2996853

SCHEMBL2996853

O=C1N=Nc2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CDC25B P30305 3/20 0.43
MAPT P10636 4/20 0.42
MAOA P21397 4/20 0.42
APAF1 O14727 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GALK1 P51570 2/20 0.42
TDP2 O95551 2/20 0.42
RECQL P46063 2/20 0.42
CES1 P23141 2/20 0.42
S100A4 P26447 2/20 0.42
BLM P54132 2/20 0.42
NPC1 O15118 2/20 0.42
PTPRC P08575 2/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL94097 0.85 MEN1 (0.41) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL1386281 0.78 MEN1 (0.46) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL6272910 0.74 NPC1 (0.38) MEN1KMT2ACDC25BLMNAPOLB
SCHEMBL4907309 0.74 APAF1 (0.37) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL112133 0.73 MEN1 (0.50) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL29714477 0.73 MEN1 (0.50) MEN1KMT2ACDC25BMAPTMAOA
Hexane SCHEMBL28514659 0.73 PTPN1 (0.40) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL1750489 0.72 MEN1 (0.58) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL30218501 0.71 MEN1 (0.47) MEN1KMT2ACDC25BMAPTMAOA
SCHEMBL12359258 0.70 MEN1 (0.37) MEN1KMT2ACDC25BMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109656060-B Liquid crystal display device having a plurality of pixel electrodes 夏普株式会社 2022-01-18 CN disclosed
EP-2166860-B1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2016-09-21 EP disclosed
US-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF LI PENG (US) 2016-03-17 US disclosed
US-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2015-09-17 US disclosed
US-9062023-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-23 US disclosed
US-9056837-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-16 US disclosed
EP-2074998-B1 Use of cyclic bioisosteres of purine system derivatives for the treatment of diseases caused by disorders of nitrergic and dopaminergic systems ZHILOV VALERY KHAZHMURATOVICH (RU) 2013-10-16 EP disclosed
US-20130123269-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2013-05-16 US disclosed
US-8367686-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2013-02-05 US disclosed
US-20100184778-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. 2010-07-22 US disclosed
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES INC. 2010-07-08 US disclosed
EP-2166860-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF Intra-Cellular Therapies, Inc. (US) 2010-03-31 EP disclosed
EP-2166858-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF Intra-Cellular Therapies, Inc. (US) 2010-03-31 EP disclosed
EP-2074998-A2 Use of cyclic bioisosteres of purine system derivatives for the treatment of diseases caused by disorders of nitrergic and dopaminergic systems Zhilov, Valery Khazhmuratovich (RU) 2009-07-01 EP disclosed
EP-1655028-B1 USE OF CYCLIC BIOISOSTERES OF PURINE SYSTEM DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY DISORDERS OF NITRERGIC AND DOPAMINERGIC SYSTEMS ZHILOV VALERY KHAZHMURATOVICH (RU) 2009-05-13 EP disclosed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
WO-2008153974-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-18 WO disclosed
WO-2008153959-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-18 WO disclosed
EP-1655028-A2 USE OF CYCLIC BIOISOSTERES OF PURINE SYSTEM DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY DISORDERS OF NITRERGIC AND DOPAMINERGIC SYSTEMS Zhilov, Valery Khazhmuratovich (RU) 2006-05-10 EP 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 (5 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-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, BACE1, PYGB MEN1 748/4885KMT2A 2233/4885CDC25B 671/4885
US-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP MEN1 1040/4885KMT2A 3316/4885CDC25B 1048/4885
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP MEN1 904/4885KMT2A 3017/4885CDC25B 948/4885
US-20100184778-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, PYGB, BACE1 MEN1 846/4885KMT2A 2301/4885CDC25B 686/4885
US-20130123269-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP MEN1 1040/4885KMT2A 3316/4885CDC25B 1048/4885

“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.