SCHEMBL4904541

SCHEMBL4904541

Ic1ccc(Nc2cccc(-c3ccccn3)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
TP53 P04637 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
LMNA P02545 4/20 0.49
ALOX15 P16050 3/20 0.49
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
CCR1 P32246 3/20 0.49
CCR5 P51681 3/20 0.49
CCR8 P51685 3/20 0.49
ALPL P05186 2/20 0.49
HSP90AA1 P07900 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
MAPK1 P28482 1/20 0.49
MECP2 P51608 1/20 0.44
KCNN1 Q92952 1/20 0.44
KCNN2 Q9H2S1 1/20 0.44
MBD2 Q9UBB5 1/20 0.44

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
SCHEMBL20919383 0.84 KDM4E (0.68) KDM4ETP53SMN1; SMN2TDP1LMNA
Hydrochloric Acid SCHEMBL4902758 0.82 SMN1; SMN2 (0.61) KDM4ETP53SMN1; SMN2TDP1LMNA
Hydrochloric Acid SCHEMBL4901670 0.81 TP53 (0.47) KDM4ETP53SMN1; SMN2TDP1LMNA
SCHEMBL4895714 0.81 TP53 (0.47) KDM4ETP53SMN1; SMN2TDP1LMNA
Hydrochloric Acid SCHEMBL4891120 0.81 SLC2A1 (0.62) KDM4ETP53SMN1; SMN2TDP1LMNA
SCHEMBL20919346 0.81 KMT2A (0.57) KDM4ETP53SMN1; SMN2TDP1LMNA
SCHEMBL4899846 0.78 TDP1 (0.44) KDM4ETP53SMN1; SMN2TDP1LMNA
SCHEMBL4894249 0.78 NPC1 (0.48) KDM4ETP53SMN1; SMN2TDP1LMNA
SCHEMBL4900438 0.77 MEN1 (0.57) KDM4ESMN1; SMN2LMNAKMT2ANPC1
SCHEMBL4900002 0.77 GRM5 (0.47) KDM4ETP53SMN1; SMN2TDP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 KDM4E 542/4885TP53 4264/4885SMN1; SMN2 3670/4885

“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.