SCHEMBL3138294

SCHEMBL3138294

O=[N+]([O-])c1ccc(Nc2cncc(-c3ccccn3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.47
ALOX12 P18054 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
NPC1 O15118 3/20 0.43
MITF O75030 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4900438 0.88 MEN1 (0.57) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL913419 0.81 MEN1 (0.69) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL3128890 0.80 MECP2 (0.53) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL3134265 0.78 SLC2A1 (0.42) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL3143142 0.78 SLC2A1 (0.61) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL3134667 0.78 SLC2A1 (0.42) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL3136919 0.78 KDR (0.45) MAPTLMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL3138619 0.77 SLC2A1 (0.41) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL7039450 0.77 KDM4E (0.59) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL20796131 0.77 MEN1 (0.74) MAPTMEN1KMT2ALMNARAB9A

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 MAPT 3233/4885MEN1 2382/4885KMT2A 702/4885

“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.