SCHEMBL4902879

SCHEMBL4902879

c1cncc(-c2ccc(Nc3cccc(-c4cnccn4)n3)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.52
GPR55 Q9Y2T6 5/20 0.42
CYP2A6 P11509 5/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CTPS1 P17812 1/20 0.39
PIM1 P11309 1/20 0.38
DEGS1 O15121 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
SCHEMBL4899168 0.92 KARS1 (0.43) KARS1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4900004 0.88 KARS1 (0.43) KARS1GPR55GRM5
SCHEMBL4905119 0.84 CTSC (0.48) KARS1CYP2A6CYP3A4
SCHEMBL4892104 0.83 CYP2E1 (0.41) KARS1CYP2A6NPC1TP53RAB9A
SCHEMBL4902892 0.82 KARS1 (0.40) KARS1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4901584 0.81 SLC2A1 (0.48) KARS1NPC1RAB9ASMN1; SMN2GRM5
SCHEMBL4900205 0.81 NPC1 (0.40) KARS1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4901969 0.81 KARS1 (0.40) KARS1NPC1RAB9AGRM5ALDH1A1
SCHEMBL3142922 0.81 CYP2A6 (0.51) KARS1GPR55CYP2A6NPC1TP53
SCHEMBL4901420 0.80 CYP2A6 (0.52) KARS1GPR55CYP2A6NPC1TP53

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 KARS1 512/4885GPR55 1522/4885CYP2A6 3061/4885

“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.