SCHEMBL14764459

SCHEMBL14764459

NC(N)=NCc1ccc(CCF)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.48
GRIN2B Q13224 6/20 0.48
GRIN2D O15399 4/20 0.48
GRIN3B O60391 4/20 0.48
GRIN2A Q12879 4/20 0.48
GRIN2C Q14957 4/20 0.48
GRIN3A Q8TCU5 4/20 0.48
HTR3A P46098 3/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
F11 P03951 1/20 0.45
TAAR1 Q96RJ0 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 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
SCHEMBL1737052 0.84 GRIN1 (0.62) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL27357155 0.81 GRIN1 (0.50) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL17351900 0.78 GRIN2B (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL27636313 0.77 GRIN2B (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4094076 0.76 GRIN2D (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7635935 0.76 GRIN1 (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4097844 0.74 GRIN2D (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL9667523 0.74 TAAR1 (0.71) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5149729 0.74 TAAR1 (0.48) HTR3ATAAR1HTR1AADRA2ASLC6A2
SCHEMBL14763877 0.73 HTR3A (0.63) GRIN1GRIN2BHTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 US disclosed
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed
EP-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 EP disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 US disclosed
WO-2013036869-A2 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2013-03-14 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 GRIN1 2676/4885GRIN2B 3483/4885GRIN2D 3146/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 GRIN1 2676/4885GRIN2B 3483/4885GRIN2D 3146/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 GRIN1 2676/4885GRIN2B 3483/4885GRIN2D 3146/4885

“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.