SCHEMBL4900680

SCHEMBL4900680

Clc1ccc(Nc2cccc(-n3cccn3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDR P35968 1/20 0.39
SLC2A1 P11166 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
AOC3 Q16853 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4892339 0.84 ADORA2A (0.40) ADORA2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4902508 0.84 ADORA2A (0.45) ADORA2AKDM4EALDH1A1SMN1; SMN2KDR
SCHEMBL4902033 0.84 KDM4E (0.45) ADORA2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3577903 0.82 NOTUM (0.49) NOTUMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4896551 0.82 ADORA2A (0.41) ADORA2AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4899608 0.80 CYP1A2 (0.41) KDM4EALDH1A1SMN1; SMN2KDRSLC2A1
SCHEMBL3582329 0.78 TNIK (0.43) NOTUMKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4895762 0.77 LMNA (0.46) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4902868 0.77 CCND3 (0.47)
Hydrochloric Acid SCHEMBL4901839 0.77 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ALMNA

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 4 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
CN-1980923-A Polycyclic pyridines as potassium ion channel modulators ICAGEN INC (US) 2007-06-13 CN 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 NOTUM 4279/4885ADORA2A 1131/4885KDM4E 542/4885

“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.