SCHEMBL3663375

SCHEMBL3663375

O=C1CNc2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CDC25B P30305 1/20 0.39
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
GSK3A P49840 8/20 0.35
GSK3B P49841 8/20 0.35
CDK5 Q00535 6/20 0.34
CDK5R1 Q15078 6/20 0.34
MKNK2 Q9HBH9 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL12210292 0.83 MAOA (0.41) MAOAMAOBCDC25BKDM4AKDM4B
SCHEMBL22774228 0.80 MEN1 (0.47) MAOAMAOBCDC25BCYP11B1CYP11B2
SCHEMBL4595981 0.75 GSK3B (0.50) CYP11B1CYP11B2GSK3AGSK3BCDK5
SCHEMBL12015740 0.73 MAOA (0.39) MAOAMAOBCDC25BKDM4AKDM4B
SCHEMBL19553107 0.73 CDC7 (0.41) MAOAMAOBCDC25BKDM4AKDM4B
SCHEMBL12469157 0.72 CHRNB2 (0.41) MAOAMAOBCDC25BCYP11B1CYP11B2
SCHEMBL483183 0.72 CDC7 (0.44) MAOAMAOBCDC25BTSHR
SCHEMBL68595 0.71 CA12 (0.45) MAOAMAOBCDC25BGSK3BTP53
SCHEMBL6142143 0.71 CYP11B1 (0.63) CYP11B1CYP11B2PDE3BPDE3ACYP3A4
SCHEMBL26102745 0.71 MAOA (0.37) MAOAMAOBCDC25BKDM4AKDM4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879892-A2 2-PYRROLIDONE DERIVATIVES AND THEIR USES FOR THE TREATMENT OF INFLAMMATORY CONDITIONS AND PAIN XENON PHARMACEUTICALS INC. (CA) 2008-01-23 EP claimed
WO-2006113875-A2 2 - PYRROLIDONE DERIVATIVES AND THEIR USES FOR THE TREATMENT OF INFLAMMATORY CONDITIONS AND PAIN XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO claimed
US-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 US disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 US disclosed
EP-2240482-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009095162-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-08-06 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 (2 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-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, LIPA MAOA 458/4885MAOB 568/4885CDC25B 4223/4885
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 MAOA 473/4885MAOB 536/4885CDC25B 4433/4885

“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.