SCHEMBL21457778

SCHEMBL21457778

N#CC(N)Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
FDPS P14324 1/20 0.46
PTPRA P18433 1/20 0.46
HRH1 P35367 2/20 0.46
DPP4 P27487 2/20 0.44
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL10403587 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2266273 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18397263 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9678465 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2266277 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6997949 0.78 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29574679 0.78 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19779346 0.78 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31450615 0.78 PTPRA (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2369914 0.78 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-02-27 US disclosed
EP-3553051-A1 METHOD FOR PRODUCING 3-(PYRIDYL-2-AMINO)PROPIONITRILE AND ANALOGUES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2019-10-16 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 (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-20200062710-A1 Method For Producing 3-(Pyridyl-2-Amino)Propionitrile And Analogues Thereof PDXK, PAH, PNPO GRIN2D 1353/4885GRIN3B 889/4885GRIN1 1547/4885

“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.