SCHEMBL3144922

SCHEMBL3144922

CCN(CC)C(=O)c1ccc(Nc2cncc(-c3ccccn3)n2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.52
GRM1 Q13255 2/20 0.41
HPGD P15428 6/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.39
OPRD1 P41143 2/20 0.39
KCNH2 Q12809 2/20 0.39
HPGDS O60760 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SLC2A1 P11166 1/20 0.37
CYP2D6 P10635 1/20 0.37
HCAR3 P49019 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4904498 0.89 GRM5 (0.54) GRM5GRM1HPGDALDH1A1LMNA
SCHEMBL4902945 0.83 GRM5 (0.52) GRM5GRM1HPGDALDH1A1LMNA
SCHEMBL3142614 0.82 NNMT (0.46) HPGDSP4HTMSLC2A1HCAR3
SCHEMBL4904977 0.75 GRM5 (0.50) GRM5HPGDALDH1A1LMNAOPRD1
SCHEMBL3128890 0.75 MECP2 (0.53) HPGDALDH1A1LMNAP4HTMMAPT
SCHEMBL3134667 0.73 SLC2A1 (0.42) GRM1LMNAP4HTMMAPTSLC2A1
SCHEMBL3134265 0.73 SLC2A1 (0.42) HPGDALDH1A1LMNAP4HTMMAPT
SCHEMBL3143142 0.73 SLC2A1 (0.61) GRM5ALDH1A1LMNAP4HTMMAPT
SCHEMBL3138619 0.72 SLC2A1 (0.41) HPGDALDH1A1LMNAHPGDSP4HTM
SCHEMBL3141929 0.71 SLC2A1 (0.40) HPGDALDH1A1MAPTTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP claimed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US claimed
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP disclosed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US disclosed
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 US 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-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 GRM5 195/4885GRM1 418/4885HPGD 2538/4885

“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.