SCHEMBL4814620

SCHEMBL4814620

Cn1c(-c2cccc(-c3ccccn3)n2)nc2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HRH3 Q9Y5N1 14/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALPL P05186 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CCR1 P32246 1/20 0.46
HTT P42858 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4814275 0.84 CYP19A1 (0.56) CA12CA9NPC1RAB9AKDM4E
SCHEMBL4815043 0.82 CA12 (0.53) CA12CA9NPC1RAB9AKDM4E
SCHEMBL12354513 0.78 CA12 (0.66) CA12CA9NPC1RAB9AKDM4E
SCHEMBL14363384 0.78 CA12 (0.48) CA12CA9NPC1RAB9AKDM4E
SCHEMBL4813219 0.77 CA12 (0.49) CA12CA9NPC1RAB9AKDM4E
SCHEMBL29497601 0.75 CA12 (0.56) CA12CA9NPC1RAB9AHRH3
Hydrochloric Acid SCHEMBL7181558 0.75 ACSS2 (0.50) CA12CA9NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7177258 0.75 ACSS2 (0.50) CA12CA9NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7183796 0.75 ACSS2 (0.50) CA12CA9NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7175841 0.75 ACSS2 (0.50) CA12CA9NPC1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US disclosed
US-20050227958-A1 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 US 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-20050227958-A1 Polycyclic pyridines as potassium ion channel modulators KCNJ2, KCNH2, KCNQ1 CA12 3533/4885CA9 3802/4885NPC1 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.