SCHEMBL4899792

SCHEMBL4899792

COc1ccccc1-c1ccc(Nc2cccc(-c3nccs3)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
SYK P43405 3/20 0.40
SRC P12931 1/20 0.40
ZAP70 P43403 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
WNT3A P56704 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CTSA P10619 1/20 0.39
CYP19A1 P11511 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
VCP P55072 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 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
SCHEMBL4904404 0.82 PDPK1 (0.45) CYP1A2CYP1A1CYP1B1SYKSRC
Hydrochloric Acid SCHEMBL4902556 0.81 PDPK1 (0.44) CYP1A2CYP1A1CYP1B1SYKSRC
SCHEMBL4899241 0.81 CYP1A1 (0.48) CYP1A2CYP1A1CYP1B1SYKSRC
SCHEMBL4900903 0.81 WNT3A (0.41) CYP1A2SYKWNT3AADORA3NPC1
SCHEMBL4899201 0.79 MAPT (0.41) CYP1A2CYP1A1CYP1B1SYKSRC
SCHEMBL27662792 0.79 CYP1A2 (0.40) CYP1A2CYP1A1CYP1B1SYKSRC
SCHEMBL4901420 0.78 CYP2A6 (0.52) SYKSRCZAP70CYP19A1NPC1
SCHEMBL4902886 0.78 CTSC (0.49) CYP1A2CYP1A1CYP1B1
SCHEMBL27662885 0.78 SYK (0.47) CYP1A2CYP1A1CYP1B1SYKSRC
SCHEMBL4899942 0.77 LYN (0.49) SYKSRCZAP70MEN1NPC1

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 CYP1A2 2682/4885CYP1A1 2689/4885CYP1B1 3572/4885

“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.