SCHEMBL5961500

SCHEMBL5961500

Cc1noc2ncc(N(C=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.38
RIPK1 Q13546 1/20 0.38
CDK8 P49336 2/20 0.37
CCR2 P41597 1/20 0.37
CCR5 P51681 1/20 0.37
THRB P10828 1/20 0.37
KDR P35968 6/20 0.36
KIT P10721 2/20 0.36
FLT3 P36888 2/20 0.36
AR P10275 1/20 0.36
BRAF P15056 2/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL5961494 0.90 BRAF (0.40) GRM4RIPK1CDK8CCR2CCR5
Hydrochloric Acid SCHEMBL5961417 0.90 BRAF (0.40) GRM4RIPK1CDK8CCR2CCR5
SCHEMBL6905307 0.85 BRAF (0.36) GRM4RIPK1CDK8CCR2CCR5
SCHEMBL5961482 0.83 CCR2 (0.51) GRM4CDK8CCR2CCR5THRB
SCHEMBL5961552 0.74 CCR2 (0.47) CCR2CCR5THRBKDRKIT
SCHEMBL5961555 0.73 CCR2 (0.51) CCR2CCR5KDRKITFLT3
SCHEMBL5961444 0.73 CCR2 (0.47) GRM4CCR2CCR5THRBKDR
SCHEMBL5961553 0.72 CCR2 (0.45) CCR2CCR5KDRKITFLT3
SCHEMBL5961576 0.72 CCR2 (0.46) CCR2CCR5KDRKITFLT3
SCHEMBL5961588 0.72 CCR2 (0.47) CCR2CCR5KDRKITFLT3

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 9 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
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 GRM4 2824/4885RIPK1 211/4885CDK8 3170/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 GRM4 2824/4885RIPK1 211/4885CDK8 3170/4885

“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.