SCHEMBL4904977

SCHEMBL4904977

CCN(CC)C(=O)c1ccc(Nc2cccc(-c3nccs3)n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
PDE11A Q9HCR9 1/20 0.41
OPRD1 P41143 2/20 0.38
OPRK1 P41145 1/20 0.38
LYN P07948 1/20 0.38
ADORA2A P29274 5/20 0.37
ADORA1 P30542 4/20 0.37
SYK P43405 2/20 0.36
SRC P12931 2/20 0.36
FGFR1 P11362 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 2/20 0.35
CDK2 P24941 1/20 0.35
ZAP70 P43403 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL27662885 0.83 SYK (0.47) ADORA2AADORA1SYKSRCALDH1A1
SCHEMBL4904498 0.83 GRM5 (0.54) GRM5OPRD1SRCFGFR1ALDH1A1
SCHEMBL4902945 0.81 GRM5 (0.52) GRM5OPRD1SRCFGFR1ALDH1A1
SCHEMBL4902648 0.81 SYK (0.39) LYNSYKSRCLMNAHTR1A
SCHEMBL4899309 0.78 SYK (0.40) LYNADORA2ASYKSRCCDK2
SCHEMBL28760941 0.78 SYK (0.37) LYNADORA2ASYKSRCCDK2
Hydrochloric Acid SCHEMBL27662732 0.77 SYK (0.40) LYNADORA2ASYKSRCCDK2
Hydrochloric Acid SCHEMBL4898839 0.77 LYN (0.37) LYNADORA2ASYKSRCCDK2
SCHEMBL4899942 0.77 LYN (0.49) LYNSYKSRCALDH1A1CDK2
SCHEMBL5261402 0.76 SYK (0.40) LYNADORA2ASYKSRCALDH1A1

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 392/4885PDE11A 2446/4885OPRD1 909/4885

“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.