SCHEMBL5961585

SCHEMBL5961585

Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(OCC(=O)O)c(C(F)(F)F)c3)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.74
CCR5 P51681 2/20 0.74
S1PR1 P21453 5/20 0.44
NR3C1 P04150 4/20 0.41
SPR P35270 4/20 0.39
POLB P06746 1/20 0.39
BRAF P15056 3/20 0.38
ADRB2 P07550 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
S1PR5 Q9H228 1/20 0.38
KDR P35968 3/20 0.37
KIT P10721 2/20 0.37
FLT3 P36888 2/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
LYN P07948 1/20 0.37
SRC P12931 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL7163174 0.92 CCR2 (0.72) CCR2CCR5S1PR1NR3C1SPR
SCHEMBL5961562 0.91 CCR2 (0.71) CCR2CCR5S1PR1NR3C1SPR
SCHEMBL5961499 0.87 CCR2 (0.59) CCR2CCR5NR3C1SPRPOLB
SCHEMBL7202793 0.86 CCR2 (0.69) CCR2CCR5S1PR1NR3C1SPR
SCHEMBL18841095 0.85 CCR2 (1.00) CCR2CCR5NR3C1SPRPOLB
SCHEMBL2863993 0.81 CCR2 (0.60) CCR2CCR5S1PR1NR3C1BRAF
SCHEMBL5961581 0.79 CCR2 (0.58) CCR2CCR5NR3C1SPRPOLB
SCHEMBL7079541 0.78 CCR2 (0.68) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961458 0.76 CCR2 (0.68) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961490 0.76 CCR2 (0.76) CCR2CCR5NR3C1SPRPOLB

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.