SCHEMBL4896616

SCHEMBL4896616

COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCC2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
PIP4K2A P48426 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MET P08581 1/20 0.37
ROS1 P08922 1/20 0.37
ALK Q9UM73 1/20 0.37
SCN9A Q15858 1/20 0.36
HTT P42858 2/20 0.36
F10 P00742 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CRHR1 P34998 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
SCHEMBL4899702 0.97 HCRTR1 (0.40) HCRTR1HCRTR2PIP4K2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5257872 0.96 HCRTR1 (0.40) HCRTR1HCRTR2PIP4K2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4901103 0.91 CCND3 (0.37) HCRTR1HCRTR2CRHR1
Hydrochloric Acid SCHEMBL4895695 0.89 CDK4 (0.36) HCRTR1HCRTR2CRHR1
SCHEMBL4904908 0.89 PTK2 (0.38) HCRTR1HCRTR2SMN1; SMN2NPC1ATM
Hydrochloric Acid SCHEMBL4902615 0.86 MAP4K1 (0.38) HCRTR1HCRTR2CRHR1KDM6BSYK
SCHEMBL5263950 0.86 ATM (0.41) PIP4K2ASMN1; SMN2MAPTMETROS1
SCHEMBL4891073 0.85 CTSC (0.40) NPC1SYK
Hydrochloric Acid SCHEMBL4902864 0.85 ATM (0.41) PIP4K2ASMN1; SMN2MAPTMETROS1
SCHEMBL4895091 0.85 HCRTR1 (0.37) HCRTR1HCRTR2NPC1ALDH1A1KDM6B

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 6 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 claimed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP claimed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO claimed
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 HCRTR1 2726/4885HCRTR2 1689/4885PIP4K2A 533/4885

“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.