SCHEMBL3134723

SCHEMBL3134723

Nc1cnc(N)c(-c2cncc(-c3ccccn3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ TP53 P04637 4/20 0.44
▸ CCR1 P32246 3/20 0.44
▸ CCR5 P51681 3/20 0.44
▸ CCR8 P51685 3/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ POLB P06746 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL913862 0.86 TDO2 (0.50) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL13140367 0.79 KDM4E (0.70) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL23598683 0.75 KDM4E (0.78) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL23598500 0.75 KDM4E (0.78) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL3063703 0.74 KDM4E (0.54) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL19944117 0.72 KDM4E (0.59) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL27946179 0.72 KDM4E (0.59) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL198150 0.71 CCR1 (0.64) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL29563296 0.71 CCR1 (0.64) KDM4EL3MBTL1SMN1; SMN2LMNATP53
SCHEMBL5196242 0.70 KDM4E (0.47) KDM4EL3MBTL1SMN1; SMN2LMNATP53

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 KDM4E 1618/4885L3MBTL1 3598/4885SMN1; SMN2 4255/4885

“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.

Send feedback