SCHEMBL3137598

SCHEMBL3137598

Cc1ccc(-c2ccc(Nc3cncc(-c4ccccn4)n3)nc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.41
TACR3 P29371 1/20 0.36
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
PKM P14618 4/20 0.35
POLB P06746 3/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL4901121 0.82 KARS1 (0.41) GRM5ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL3138437 0.82 ALDH1A1 (0.44) SLC2A1GRM5ALDH1A1KDM4EMAPT
SCHEMBL3138619 0.81 SLC2A1 (0.41) SLC2A1ALDH1A1KDM4EMAPTL3MBTL1
Hydrochloric Acid SCHEMBL3134658 0.80 SLC2A1 (0.41) SLC2A1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL3142922 0.79 CYP2A6 (0.51) SLC2A1ALDH1A1MAPTTDP1PKM
Hydrochloric Acid SCHEMBL3142386 0.78 CYP2A6 (0.50) SLC2A1ALDH1A1MAPTTDP1PKM
SCHEMBL3141929 0.77 SLC2A1 (0.40) SLC2A1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL3128890 0.76 MECP2 (0.53) SLC2A1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL3147046 0.76 SMN1; SMN2 (0.45) SLC2A1ALDH1A1KDM4EMAPTTDP1
SCHEMBL3128901 0.76 KDM4E (0.43) SLC2A1GRM5KDM4EPKMHSD17B10

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 4 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
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 SLC2A1 1451/4885TACR3 180/4885GRM5 195/4885

“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.