SCHEMBL5961562

SCHEMBL5961562

CCOC(=O)COc1ccc(NC(=O)NC(=O)c2cnc3c(c2)c(C)nn3C)cc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.71
CCR5 P51681 2/20 0.71
S1PR1 P21453 2/20 0.42
SPR P35270 4/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NR3C1 P04150 3/20 0.37
BRAF P15056 3/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
KDR P35968 2/20 0.36
IDH1 O75874 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL5961585 0.91 CCR2 (0.74) CCR2CCR5S1PR1SPRPOLB
SCHEMBL7163174 0.90 CCR2 (0.72) CCR2CCR5S1PR1SPRPOLB
SCHEMBL7202793 0.84 CCR2 (0.69) CCR2CCR5S1PR1SPRPOLB
SCHEMBL18841095 0.83 CCR2 (1.00) CCR2CCR5SPRPOLBNR3C1
SCHEMBL2863993 0.80 CCR2 (0.60) CCR2CCR5S1PR1MAPTNR3C1
SCHEMBL5961499 0.78 CCR2 (0.59) CCR2CCR5SPRPOLBMAPT
SCHEMBL5961581 0.77 CCR2 (0.58) CCR2CCR5SPRPOLBMAPT
SCHEMBL5961458 0.75 CCR2 (0.68) CCR2CCR5SPRPOLBMAPT
SCHEMBL7079323 0.73 CCR2 (0.66) CCR2CCR5SPRPOLBMAPT
SCHEMBL5961584 0.72 CCR2 (0.59) CCR2CCR5SPRPOLBNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP claimed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US claimed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 WO claimed
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 4/4885S1PR1 61/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 4/4885S1PR1 61/4885

“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.