SCHEMBL4896551

SCHEMBL4896551

c1ccc(-c2ccc(Nc3cccc(-n4cccn4)n3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.37
SYK P43405 3/20 0.36
CHEK1 O14757 1/20 0.36
CDK7 P50613 1/20 0.36
TNIK Q9UKE5 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35

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
SCHEMBL4902508 0.82 ADORA2A (0.45) ADORA2AKDM4EMAPK1HTTLMNA
SCHEMBL4892339 0.82 ADORA2A (0.40) ADORA2AKDM4EMAPK1HTTLMNA
SCHEMBL4902033 0.82 KDM4E (0.45) ADORA2AKDM4EMAPK1HTTLMNA
SCHEMBL4900680 0.82 NOTUM (0.42) ADORA2AKDM4EMAPK1HTTLMNA
SCHEMBL4903204 0.81 KDM4E (0.43) KDM4EMAPK1MEN1KMT2AGRM5
SCHEMBL4895762 0.75 LMNA (0.46) KDM4EMAPK1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4901839 0.75 KDM4E (0.45) KDM4EMAPK1LMNAMEN1KMT2A
SCHEMBL4902868 0.75 CCND3 (0.47) CDK7
SCHEMBL4895714 0.72 TP53 (0.47) KDM4EMAPK1HTTLMNAMEN1
SCHEMBL4900760 0.72 KARS1 (0.40) KDM4EHTTLMNAMEN1KMT2A

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 ADORA2A 1131/4885KDM4E 542/4885MAPK1 1717/4885

“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.