SCHEMBL5961520

SCHEMBL5961520

Cc1nn(C)c2ncc(C(N)=O)cc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 9/20 0.60
POLB P06746 1/20 0.60
CCR2 P41597 1/20 0.47
CCR5 P51681 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
LMNA P02545 3/20 0.43
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5070874 0.86 SPR (0.61) SPRPOLBCCR2CCR5LMNA
SCHEMBL7553541 0.84 SPR (0.60) SPRPOLBCCR2CCR5LMNA
SCHEMBL8574855 0.82 SPR (0.61) SPRPOLBCCR2CCR5LMNA
SCHEMBL5961432 0.77 GSK3B (0.49) SPRPOLBPDE4APDE4BPDE4C
SCHEMBL21500663 0.77 SPR (0.69) SPRPOLBLMNAKDM4EHPGD
SCHEMBL5069154 0.76 SPR (0.52) SPRPOLBCCR2CCR5LMNA
SCHEMBL20413616 0.76 SPR (0.59) SPRPOLBCCR2CCR5HPGD
SCHEMBL17963352 0.76 SPR (0.53) SPRKDM4E
SCHEMBL14430228 0.75 SPR (0.52) SPRPOLBCCR2CCR5PIM3
SCHEMBL3353659 0.75 SPR (0.46) SPRPOLBCCR2CCR5PIM3

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 SPR 430/4885POLB 3248/4885CCR2 1/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 SPR 430/4885POLB 3248/4885CCR2 1/4885

“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.