SCHEMBL5961531

SCHEMBL5961531

Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(N)=O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.54
CCR5 P51681 2/20 0.54
RCE1 Q9Y256 1/20 0.40
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KDM4E B2RXH2 4/20 0.36
SPR P35270 4/20 0.34
POLB P06746 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTR6 P50406 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
SYK P43405 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5961485 0.78 RCE1 (0.50) RCE1PIM3PIM2KDM4ESPR
SCHEMBL5961539 0.77 ALDH1A1 (0.47) CCR2CCR5RCE1PIM3PIM2
SCHEMBL7081776 0.77 CCR2 (0.44) CCR2CCR5KDM4EPOLBALDH1A1
SCHEMBL5961519 0.75 RCE1 (0.48) RCE1PIM3PIM2KDM4ESPR
SCHEMBL5961474 0.70 PIM3 (0.40) CCR2CCR5RCE1PIM3PIM2
SCHEMBL6501964 0.68 RCE1 (0.40) RCE1PIM3PIM2KDM4ESPR
SCHEMBL6495263 0.66 BCHE (0.41) RCE1PARP1ROCK2
SCHEMBL26233655 0.65 BAZ2B (0.44) CCR2CCR5RCE1PIM3PIM2
SCHEMBL26234077 0.64 SPR (0.40) CCR2CCR5RCE1PIM3PIM2
SCHEMBL5961520 0.63 SPR (0.60) CCR2CCR5PIM3PIM2KDM4E

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 6 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
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP 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
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 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-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 4/4885RCE1 3056/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 4/4885RCE1 3056/4885

“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.