SCHEMBL5961430

SCHEMBL5961430

Cc1noc2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N3CCN(C)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.49
CCR5 P51681 1/20 0.49
BRAF P15056 3/20 0.42
THRB P10828 1/20 0.42
KDR P35968 7/20 0.40
LCK P06239 3/20 0.40
MAPK14 Q16539 2/20 0.40
FLT3 P36888 3/20 0.40
KIT P10721 2/20 0.40
EPHX2 P34913 2/20 0.40
S1PR1 P21453 2/20 0.39
RIPK1 Q13546 1/20 0.39
STAT3 P40763 2/20 0.39
PDGFRB P09619 1/20 0.38
CSF1R P07333 2/20 0.38
FLT4 P35916 2/20 0.38
ABL1 P00519 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
FLT1 P17948 1/20 0.38

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
Hydrochloric Acid SCHEMBL5961437 0.99 CCR2 (0.49) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961429 0.92 CCR2 (0.47) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961503 0.79 CCR2 (0.52) CCR2CCR5BRAFTHRBKDR
Hydrochloric Acid SCHEMBL5961486 0.79 CCR2 (0.51) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961506 0.78 CCR2 (0.58) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961451 0.77 CCR2 (0.46) CCR2CCR5BRAFTHRBKDR
Hydrochloric Acid SCHEMBL5961557 0.77 CCR2 (0.57) CCR2CCR5BRAFTHRBKDR
Hydrochloric Acid SCHEMBL5961464 0.77 CCR2 (0.46) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961456 0.74 CCR2 (0.41) CCR2CCR5BRAFTHRBKDR
SCHEMBL5961532 0.72 CCR2 (0.69) CCR2CCR5THRBKDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP 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 4/4885BRAF 957/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 4/4885BRAF 957/4885

“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.