SCHEMBL4902675

SCHEMBL4902675

Brc1cccc(-c2cccc(Nc3ccc(-c4ccccc4)cn3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
ACHE P22303 1/20 0.37
CTSC P53634 1/20 0.37
KARS1 Q15046 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 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
SCHEMBL4895714 0.84 TP53 (0.47) KDRKARS1NPC1RAB9ANFKB1
SCHEMBL4900760 0.82 KARS1 (0.40) KDRACHECTSCKARS1NPC1
SCHEMBL4899168 0.81 KARS1 (0.43) KDRCTSCKARS1NPC1RAB9A
SCHEMBL4892301 0.80 SLC2A1 (0.44) KDRNPC1RAB9ANFKB1NFKB2
SCHEMBL4901742 0.80 SYK (0.40) KDR
SCHEMBL4904851 0.79 KMT2A (0.48) KDRKARS1NPC1RAB9ANFKB1
SCHEMBL4904404 0.76 PDPK1 (0.45) KDRCTSCKARS1NPC1RAB9A
SCHEMBL4894249 0.76 NPC1 (0.48) NPC1RAB9ANFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL4902556 0.76 PDPK1 (0.44) KDRCTSCKARS1NPC1RAB9A
SCHEMBL14234652 0.75 MEN1 (0.60) KARS1NPC1RAB9ANFKB1NFKB2

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 KDR 3367/4885ACHE 2058/4885CTSC 3134/4885

“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.