SCHEMBL4904498

SCHEMBL4904498

CCN(CC)C(=O)c1ccc(Nc2cccc(-c3ccccn3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.41
GRM1 Q13255 1/20 0.41
OPRD1 P41143 2/20 0.40
KCNH2 Q12809 2/20 0.40
HPGDS O60760 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC2A1 P11166 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
HCAR3 P49019 1/20 0.38

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
SCHEMBL4902945 0.89 GRM5 (0.52) GRM5HPGDALDH1A1LMNAGRM1
SCHEMBL3144922 0.89 GRM5 (0.52) GRM5HPGDALDH1A1LMNAGRM1
SCHEMBL4904977 0.83 GRM5 (0.50) GRM5HPGDALDH1A1LMNAOPRD1
SCHEMBL20919383 0.73 KDM4E (0.68) HPGDALDH1A1LMNAP4HTMMAPT
Hydrochloric Acid SCHEMBL4902758 0.72 SMN1; SMN2 (0.61) HPGDALDH1A1LMNAP4HTMMAPT
SCHEMBL4904541 0.72 KDM4E (0.49) GRM5HPGDALDH1A1LMNAP4HTM
Hydrochloric Acid SCHEMBL4891120 0.71 SLC2A1 (0.62) ALDH1A1LMNAP4HTMMAPTTDP1
SCHEMBL4895714 0.71 TP53 (0.47) GRM5HPGDALDH1A1LMNAHPGDS
Hydrochloric Acid SCHEMBL4901670 0.71 TP53 (0.47) ALDH1A1LMNAP4HTMMAPTTDP1
Hydrochloric Acid SCHEMBL991448 0.70 GRM5 (0.77) GRM5HPGDALDH1A1LMNAMAPT

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 GRM5 392/4885HPGD 1598/4885ALDH1A1 3179/4885

“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.