SCHEMBL4958546

SCHEMBL4958546

N#Cc1c(C#N)c(-c2ccccc2)c2ccccc2c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.58
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
ADORA2A P29274 3/20 0.44
DYRK1A Q13627 2/20 0.44
ADRA2A P08913 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.44
ADORA1 P30542 2/20 0.44
PDE1C Q14123 1/20 0.44
HTR3A P46098 1/20 0.43
IDO1 P14902 1/20 0.41

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
SCHEMBL29152127 0.88 ALDH1A1 (0.54) PDE9AALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL16984845 0.87 ALDH1A1 (0.55) PDE9AALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL1034013 0.85 ALDH1A1 (0.53) PDE9AALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL12681373 0.82 ALDH1A1 (0.55) PDE9AALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL12679798 0.82 ALDH1A1 (0.55) PDE9AALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL13170775 0.77 TSHR (0.54) PDE9AMEN1KMT2A
SCHEMBL22140560 0.77 HTR3A (0.45) PDE9AALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL28428018 0.77 SQOR (0.50) PDE9AALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5012665 0.77 PDE9A (0.46) PDE9AALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL29354925 0.76 ACHE (0.56) ALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7322927-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2008-01-29 US disclosed
US-20060228748-A1 Hybrid phthalocyanine derivatives and their uses BIOSITE INCORPORATED 2006-10-12 US disclosed
US-7083984-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2006-08-01 US disclosed
US-6964844-B1 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2005-11-15 US disclosed
US-20020061602-A1 Hybrid phthalocyanine derivatives and their uses GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT 2002-05-23 US disclosed
EP-0670041-B1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INC (US) 2002-01-30 EP disclosed
EP-0820489-B1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC (US) 2001-07-11 EP disclosed
US-6251687-B1 PARTICLE CONTAINING ENERGY DONOR AND ENERGY ACCEPTOR BIOSITE DIAGNOSTICS, INC. 2001-06-26 US disclosed
US-5824799-A A SILICON FLUORESCENT DYES FOR DETECTING ANALYTE IN IMMUNOASSAYS BIOSITE DIAGNOSTICS INCORPORATED (US) 1998-10-20 US disclosed
US-5763189-A Fluorescence energy transfer and intramolecular energy transfer in particles using novel compounds BIOSITE DIAGNOSTICS INCORPORATED (US) 1998-06-09 US disclosed
EP-0820489-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1998-01-28 EP disclosed
EP-0670041-A4 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS. BIOSITE DIAGNOSTICS INC (US) 1997-11-05 EP disclosed
WO-1996029367-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1996-09-26 WO disclosed
EP-0670041-A1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INC. (US) 1995-09-06 EP disclosed
WO-1995008772-A1 FLUORESCENCE ENERGY TRANSFER AND INTRAMOLECULAR ENERGY TRANSFER IN PARTICLES USING NOVEL COMPOUNDS BIOSITE DIAGNOSTICS INCORPORATED (US) 1995-03-30 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-20060228748-A1 Hybrid phthalocyanine derivatives and their uses UACA, PHAX, PTBP1 PDE9A 3113/4885ALDH1A1 1368/4885KDM4E 4610/4885

“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.