SCHEMBL1065198

SCHEMBL1065198

CC(C(=O)O)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.53
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 1/20 0.49
KCNA5 P22460 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
LIN28A Q9H9Z2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.46
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDE P14735 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL29574966 0.89 MAPT (0.59) PTPRACYP1A2CYP3A4KCNA5SMN1; SMN2
SCHEMBL6424354 0.84 PTPRA (0.50) PTPRACYP1A2KCNA5SMN1; SMN2MAPT
SCHEMBL4621398 0.84 PTPRA (0.50) PTPRACYP1A2KCNA5SMN1; SMN2MAPT
SCHEMBL4621412 0.84 PTPRA (0.50) PTPRACYP1A2KCNA5SMN1; SMN2MAPT
SCHEMBL6573455 0.84 PTPRA (0.50) PTPRACYP1A2CYP3A4KCNA5SMN1; SMN2
SCHEMBL13936656 0.81 KMT2A (0.51) PTPRACYP1A2KCNA5SMN1; SMN2MAPT
SCHEMBL1066703 0.81 PTPRA (0.50) PTPRACYP1A2KCNA5SMN1; SMN2MAPT
SCHEMBL8167442 0.80 MAPT (0.53) PTPRACYP1A2CYP3A4KCNA5SMN1; SMN2
SCHEMBL7095634 0.79 TDP1 (0.57) CYP1A2KCNA5SMN1; SMN2MAPTLIN28A
SCHEMBL10261336 0.79 MAPT (0.57) CYP1A2KCNA5SMN1; SMN2MAPTLIN28A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9913917-B2 Biocompatible fluorescent metal oxide nanoparticles VISEN MEDICAL, INC. (US) 2018-03-13 US disclosed
EP-2963017-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2016-01-06 EP disclosed
EP-1482985-B1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARM INC (US) 2015-12-23 EP disclosed
US-20110229410-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2011-09-22 US disclosed
US-7875258-B2 For use as radiopharmaceuticals; solid phase synthesis; conjugation with DNA and G-protein-coupled receptors; high binding affinity, high labeling yield, superior retention and versatility; labeling without the need for co-ligands; simplification MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2011-01-25 US disclosed
US-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-12-02 US disclosed
US-7824661-B2 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
EP-1713515-A4 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARM INC (US) 2009-07-22 EP disclosed
US-20090023787-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-01-22 US disclosed
US-7381399-B2 Technetium-dipyridine complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof CITIZENS BANK, N.A. 2008-01-31 US disclosed
EP-1713515-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
EP-1482985-A4 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARM INC (US) 2006-06-28 EP disclosed
US-20060034758-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
WO-2005079865-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS (US) 2005-09-01 WO disclosed
EP-1482985-A2 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF Biostream, Inc. (US) 2004-12-08 EP disclosed
US-20030235843-A1 Technetium-depyridine complexes, and methods of use thereof CITIZENS BANK, N.A. 2003-12-25 US disclosed
WO-2003077727-A2 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF BIOSTREAM, INC. (US) 2003-09-25 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 (6 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-20110229410-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF SLC7A5, SLC7A1, AADAT PTPRA 3361/4885CYP1A2 4474/4885CYP3A4 3500/4885
US-20030235843-A1 Technetium-depyridine complexes, and methods of use thereof SLC7A5, DNPEP, SLC7A1 PTPRA 3642/4885CYP1A2 4580/4885CYP3A4 3847/4885
US-20100303725-A1 Technetium- and Rhenium-Bis(heteroaryl) Complexes, and Methods of Use Thereof SLC7A5, RAB35, AADAT PTPRA 4321/4885CYP1A2 4605/4885CYP3A4 4271/4885
US-20060034758-A1 Technetium- and rhenium-bis(heteroaryl) complexes, and methods of use thereof SLC7A5, RAB35, AADAT PTPRA 4321/4885CYP1A2 4605/4885CYP3A4 4271/4885
US-20090023787-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF SLC7A5, SLC7A1, AADAT PTPRA 3361/4885CYP1A2 4474/4885CYP3A4 3500/4885
US-20080025915-A1 Technetium-And Rhenium-Bis (Heteroaryl) Complexes, And Methods Of Use Thereof SLC7A5, RAB35, AADAT PTPRA 4321/4885CYP1A2 4605/4885CYP3A4 4271/4885

“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.