SCHEMBL4900002

SCHEMBL4900002

Cc1cc(I)cnc1Nc1cccc(-c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.47
TDP1 Q9NUW8 3/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 2/20 0.43
ALPL P05186 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
KMT2A Q03164 2/20 0.43
RELA Q04206 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
PPP1CA P62136 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
HSP90AA1 P07900 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL6372533 0.79 KMT2A (0.70) TDP1NPC1TP53ALPLSMN1; SMN2
SCHEMBL4899846 0.78 TDP1 (0.44) GRM5TDP1NPC1TP53ALPL
SCHEMBL4904541 0.77 KDM4E (0.49) GRM5TDP1NPC1TP53ALPL
SCHEMBL20919383 0.75 KDM4E (0.68) TDP1NPC1TP53ALPLSMN1; SMN2
SCHEMBL5262676 0.74 KMT2A (0.47) GRM5TDP1NPC1TP53ALPL
SCHEMBL4903188 0.71 KARS1 (0.64) TDP1NPC1TP53ALPLSMN1; SMN2
SCHEMBL4379837 0.71 KDM4E (0.54) TDP1NPC1TP53ALPLSMN1; SMN2
Hydrochloric Acid SCHEMBL4902758 0.71 SMN1; SMN2 (0.61) TDP1NPC1TP53ALPLSMN1; SMN2
SCHEMBL30608756 0.71 KDM4E (0.61) TDP1NPC1TP53ALPLSMN1; SMN2
SCHEMBL19782866 0.71 KDM4E (0.61) TDP1NPC1TP53ALPLSMN1; SMN2

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 392/4885TDP1 4081/4885NPC1 1509/4885

“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.