SCHEMBL4895758

SCHEMBL4895758

Cc1cnn(-c2cccc(-n3cc(C)cn3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 5/20 0.45
TDO2 P48775 1/20 0.42
CYP1A2 P05177 3/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE10A Q9Y233 5/20 0.39

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
SCHEMBL2005694 0.90 MAPT (0.45) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL26522667 0.87 TDO2 (0.44) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL16547474 0.84 ALDH1A1 (0.48) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL27136755 0.83 ALDH1A1 (0.47) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL15330702 0.83 ALDH1A1 (0.41) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL15293912 0.82 KDM4E (0.42) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL3149078 0.79 ALKBH2 (0.57) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL16547472 0.77 ALDH1A1 (0.41) KDM4EMAPTL3MBTL1MAPK1NPSR1
SCHEMBL29530822 0.75 NPC1 (0.38) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL6718952 0.74 ALDH1A1 (0.40) KDM4EMAPTL3MBTL1MAPK1NPSR1

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 542/4885MAPT 2710/4885L3MBTL1 3704/4885

“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.