SCHEMBL3143142

SCHEMBL3143142

Clc1ccc(Nc2cncc(-c3ccccn3)n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.61
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
KDR P35968 2/20 0.43
KDM4E B2RXH2 4/20 0.42
KDM6B O15054 1/20 0.42
TET3 O43151 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5A P29375 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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) SLC2A1CCR1CCR5CCR8KDR
SCHEMBL2885850 0.84 CDK2 (0.49) SLC2A1CCR1CCR5CCR8KDR
Hydrochloric Acid SCHEMBL4891120 0.84 SLC2A1 (0.62) SLC2A1CCR1CCR5CCR8KDR
SCHEMBL3134667 0.83 SLC2A1 (0.42) SLC2A1CCR1CCR5CCR8KDM4E
SCHEMBL3134265 0.83 SLC2A1 (0.42) SLC2A1CCR1CCR5CCR8KDR
SCHEMBL3138619 0.82 SLC2A1 (0.41) SLC2A1CCR1CCR5CCR8KDR
Hydrochloric Acid SCHEMBL3134658 0.81 SLC2A1 (0.41) SLC2A1CCR1CCR5CCR8KDR
SCHEMBL3134700 0.80 SLC2A1 (0.44) SLC2A1CCR1CCR5CCR8KDR
SCHEMBL3142922 0.80 CYP2A6 (0.51) SLC2A1SMN1; SMN2HTTNPC1MAPT
SCHEMBL3136919 0.80 KDR (0.45) SLC2A1CCR1CCR5CCR8KDR

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 SLC2A1 1451/4885CCR1 4835/4885CCR5 4488/4885

“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.