SCHEMBL3134265

SCHEMBL3134265

Brc1ccc(Nc2cncc(-c3ccccn3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
MECP2 P51608 1/20 0.40
KCNN1 Q92952 1/20 0.40
KCNN2 Q9H2S1 1/20 0.40
MBD2 Q9UBB5 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 4/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39

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
SCHEMBL3128890 0.85 MECP2 (0.53) SLC2A1MECP2KCNN1KCNN2MBD2
SCHEMBL3143142 0.83 SLC2A1 (0.61) SLC2A1MECP2KCNN1KCNN2MBD2
SCHEMBL3134667 0.83 SLC2A1 (0.42) SLC2A1MECP2KCNN1KCNN2MBD2
SCHEMBL3138619 0.82 SLC2A1 (0.41) SLC2A1MECP2KCNN1KCNN2MBD2
Hydrochloric Acid SCHEMBL3134658 0.81 SLC2A1 (0.41) SLC2A1MECP2KCNN1KCNN2MBD2
SCHEMBL3142922 0.80 CYP2A6 (0.51) SLC2A1CYP1A2SMN1; SMN2HTTTP53
SCHEMBL3136919 0.80 KDR (0.45) SLC2A1MECP2KCNN1KCNN2MBD2
SCHEMBL3142709 0.80 KDR (0.44) SLC2A1MECP2KCNN1KCNN2MBD2
SCHEMBL3139126 0.80 SLC2A1 (0.39) SLC2A1MECP2KCNN1KCNN2MBD2
SCHEMBL3133015 0.79 KDM4E (0.47) SLC2A1MECP2KCNN1KCNN2MBD2

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
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
EP-1742935-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
WO-2005121126-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-12-22 WO 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 1451/4885MECP2 2740/4885KCNN1 14/4885

“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.