SCHEMBL5961431

SCHEMBL5961431

Cc1nn(C)c2ncc(C(N)=O)c(N3CCOCC3)c12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.50
PDE4B Q07343 7/20 0.50
PDE4C Q08493 7/20 0.50
PDE4D Q08499 7/20 0.50
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
NR3C1 P04150 10/20 0.45
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7661356 0.79 KDM4E (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL30969257 0.74 KDM4E (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5717703 0.74 KDM4E (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7658028 0.72 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5717800 0.72 LMNA (0.67) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL22732133 0.68 JAK2 (0.46) KDM4ESMN1; SMN2
SCHEMBL30796354 0.68 ALDH1A1 (0.56) KDM4ELMNASMN1; SMN2
SCHEMBL29643035 0.68 MEN1 (0.56) KDM4ESMN1; SMN2
SCHEMBL5961512 0.68 HTR2C (0.42) LMNASMN1; SMN2
SCHEMBL7174336 0.68 AURKA (0.40) KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
US-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-04-22 US disclosed
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US disclosed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 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 (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-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 PDE4A 1423/4885PDE4B 1277/4885PDE4C 1301/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 PDE4A 1423/4885PDE4B 1277/4885PDE4C 1301/4885

“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.