SCHEMBL4815043

SCHEMBL4815043

COc1ccc2c(c1)nc(-c1cccc(-c3ccccn3)n1)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
AKT1 P31749 1/20 0.49
KDR P35968 1/20 0.49
PLK1 P53350 1/20 0.49
PTK2 Q05397 1/20 0.49
AURKB Q96GD4 1/20 0.49
ACSS2 Q9NR19 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
RUNX1 Q01196 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
ALPL P05186 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44

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
Hydrochloric Acid SCHEMBL7175675 0.90 ACSS2 (0.52) CA12CA9AKT1KDRPLK1
Hydrochloric Acid SCHEMBL7178971 0.90 ACSS2 (0.52) CA12CA9AKT1KDRPLK1
Hydrochloric Acid SCHEMBL7176440 0.90 ACSS2 (0.52) CA12CA9AKT1KDRPLK1
Hydrochloric Acid SCHEMBL7171156 0.90 ACSS2 (0.52) CA12CA9AKT1KDRPLK1
Hydrochloric Acid SCHEMBL7180788 0.90 ACSS2 (0.52) CA12CA9AKT1KDRPLK1
Hydrochloric Acid SCHEMBL7172206 0.90 ACSS2 (0.52) CA12CA9AKT1KDRPLK1
Hydrochloric Acid SCHEMBL7183253 0.90 ACSS2 (0.52) CA12CA9AKT1KDRPLK1
SCHEMBL4814246 0.85 KDR (0.50) CA12CA9AKT1KDRPLK1
SCHEMBL4814620 0.82 CA12 (0.55) CA12CA9NPC1RAB9ASMN1; SMN2
SCHEMBL4814275 0.82 CYP19A1 (0.56) CA12CA9AKT1KDRPLK1

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-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US claimed
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 3802/4885AKT1 4747/4885

“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.