SCHEMBL4698943

SCHEMBL4698943

N#Cc1c(Cl)c2cscc2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PDE9A O76083 15/20 0.40
KDM5A P29375 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PDE1C Q14123 1/20 0.36
HSD11B1 P28845 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
SCHEMBL1621734 0.76 PDE9A (0.62) KDM4EPDE9APDE1CHSD11B1
SCHEMBL5104219 0.73 PARP15 (0.47) KDM4EPDE9AHSD11B1
SCHEMBL20870135 0.72 PDE9A (0.55) PDE9AKDM5AKDM5CKDM5B
SCHEMBL359185 0.71 PDE9A (0.48) KDM4EPDE9APDE1C
SCHEMBL22206950 0.71 PIM1 (0.44) KDM4EPDE9APDE1C
SCHEMBL5529450 0.71 PDE9A (0.51) KDM4EPDE9APDE1C
SCHEMBL4754631 0.71 KDM5A (0.69) PDE9AKDM5AKDM5CKDM5B
SCHEMBL2870927 0.71 KDM5A (0.47) KDM4EPDE9AKDM5AKDM5CKDM5B
SCHEMBL4753505 0.71 KDM5A (0.57) PDE9AKDM5AKDM5CKDM5B
SCHEMBL14177931 0.70 PDE9A (0.47) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
EP-1861407-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-12-05 EP disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS 2006-10-12 US disclosed
WO-2006102191-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2006-09-28 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 (3 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-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS MIF, MMP12, MSR1 KDM4E 1648/4885PDE9A 1744/4885KDM5A 2405/4885
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 KDM4E 4691/4885PDE9A 3677/4885KDM5A 4732/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 KDM4E 1648/4885PDE9A 1744/4885KDM5A 2405/4885

“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.