SCHEMBL2925968

SCHEMBL2925968

C(#Cc1ccncc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.67
GRM5 P41594 3/20 0.58
MAPT P10636 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
MTOR P42345 1/20 0.50
PIK3CG P48736 1/20 0.50
PDK1 Q15118 1/20 0.50
NOTUM Q6P988 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
FFAR1 O14842 1/20 0.47
GRM4 Q14833 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL17224548 0.97 APP (0.63) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL9610050 0.91 APP (0.55) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL12873263 0.90 APP (0.52) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL1820120 0.88 HDAC8 (0.58) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL9928719 0.85 NOTUM (0.61) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL13900784 0.85 NOTUM (0.61) APPGRM5MAPTNOTUMNPC1
SCHEMBL1649302 0.85 HDAC8 (0.55) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL12873256 0.85 ASIC3 (0.56) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL4410475 0.84 GRM5 (0.52) APPGRM5MAPTPIK3CDPIK3CA
SCHEMBL4324850 0.83 ASIC3 (0.53) APPGRM5PIK3CDPIK3CAMTOR

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141248-A Protein crystallization nucleating agent and preparation method thereof 深圳先进技术研究院 2022-10-04 CN claimed
EP-3469370-B1 BACKGROUND BLOCKERS FOR BINDING ASSAYS RADIOMETER TURKU OY (FI) 2024-05-01 EP disclosed
CN-114702437-B Sonogashira coupling method for heteroaryl phosphonium salt and terminal alkyne 南京工业大学 2023-05-30 CN disclosed
US-11614445-B2 Background blockers for binding assays RADIOMETER TURKU OY (FI) 2023-03-28 US disclosed
CN-115141248-A Protein crystallization nucleating agent and preparation method thereof 深圳先进技术研究院 2022-10-04 CN disclosed
CN-109313198-B Background blockers for binding assays 雷度米特图尔库公司 2022-07-15 CN disclosed
CN-114702437-A Sonogashira coupling method of heteroaryl phosphonium salt and terminal alkyne 南京工业大学 2022-07-05 CN disclosed
EP-3990446-A1 NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS, BIOSPECIFIC BINDING REACTANTS LABELLED WITH NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS AND THEIR USE Radiometer Turku Oy (FI) 2022-05-04 EP disclosed
CN-114026070-A Novel luminescent lanthanide chelate reporter molecules, biospecific binding reactants labeled with novel luminescent lanthanide chelate reporter molecules and uses thereof 雷度米特图尔库公司 2022-02-08 CN disclosed
US-20210395606-A1 CHROMOPHORIC STRUCTURES FOR MACROCYCLIC LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2021-12-23 US disclosed
EP-1896448-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-03-12 EP disclosed
WO-2008020113-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2008-02-21 WO disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-7105707-B2 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds PHARMACORE, INC. (US) 2006-09-12 US disclosed
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds DSM N.V. (NL) 2005-06-23 US disclosed
US-5576336-A Indole derivatives as dopamine D4 antagonists MERCK SHARP & DOHME LIMITED (GB) 1996-11-19 US disclosed
WO-1994021627-A1 INDOLE DERIVATIVES AS DOPAMINE D4 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 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 (3 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-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP APP 3/4885GRM5 196/4885MAPT 15/4885
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds NAT1, B3GNT2, NISCH APP 1495/4885GRM5 3019/4885MAPT 2963/4885
US-20210395606-A1 CHROMOPHORIC STRUCTURES FOR MACROCYCLIC LANTHANIDE CHELATES UACA, LGALS3BP, CACYBP APP 4874/4885GRM5 2535/4885MAPT 4656/4885

“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.