SCHEMBL5961541

SCHEMBL5961541

Cc1nn(C)c2nc(N3CCOCC3)c(N(C=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.47
CCR5 P51681 1/20 0.47
AKT1 P31749 2/20 0.42
BRAF P15056 6/20 0.40
RAF1 P04049 5/20 0.40
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
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
BLK P51451 1/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
MTOR P42345 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL7135726 0.92 CCR2 (0.48) CCR2CCR5BRAFABL1LCK
Hydrochloric Acid SCHEMBL5961564 0.92 CCR2 (0.47) CCR2CCR5BRAFABL1LCK
SCHEMBL5961495 0.83 CCR2 (0.51) CCR2CCR5RAF1ABL1LCK
SCHEMBL5961576 0.83 CCR2 (0.46) CCR2CCR5AKT1BRAFRAF1
SCHEMBL5961475 0.81 CCR2 (0.49) CCR2CCR5ABL1LCKCSF1R
SCHEMBL5961546 0.79 CCR2 (0.47) CCR2CCR5BRAFABL1LCK
Hydrochloric Acid SCHEMBL5961523 0.79 CCR2 (0.47) CCR2CCR5BRAFABL1LCK
SCHEMBL5961516 0.78 CCR2 (0.48) CCR2CCR5BRAFRAF1ABL1
SCHEMBL5961496 0.78 CCR2 (0.48) CCR2CCR5BRAFRAF1ABL1
SCHEMBL5961583 0.78 CCR2 (0.48) CCR2CCR5BRAFRAF1ABL1

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 4/4885AKT1 3395/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 4/4885AKT1 3395/4885

“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.