SCHEMBL5961576

SCHEMBL5961576

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N3CCOCC3)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.46
CCR5 P51681 1/20 0.46
BRAF P15056 5/20 0.41
KDR P35968 3/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
BLK P51451 1/20 0.41
AKT1 P31749 1/20 0.40
NR3C1 P04150 7/20 0.40
RAF1 P04049 4/20 0.39
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL5961588 0.92 CCR2 (0.47) CCR2CCR5BRAFKDRABL1
Hydrochloric Acid SCHEMBL5961434 0.92 CCR2 (0.47) CCR2CCR5BRAFKDRABL1
SCHEMBL5961489 0.91 CCR2 (0.45) CCR2CCR5BRAFKDRABL1
SCHEMBL5961518 0.90 CCR2 (0.46) CCR2CCR5BRAFKDRABL1
SCHEMBL5961568 0.90 CCR2 (0.45) CCR2CCR5BRAFKDRABL1
Hydrochloric Acid SCHEMBL5961438 0.89 CCR2 (0.45) CCR2CCR5BRAFKDRABL1
SCHEMBL5961579 0.88 CCR2 (0.45) CCR2CCR5BRAFKDRABL1
SCHEMBL5961526 0.87 UBE2M (0.43) CCR2CCR5KDRABL1LCK
SCHEMBL5961559 0.86 NR3C1 (0.41) CCR2CCR5BRAFKDRABL1
Hydrochloric Acid SCHEMBL5961471 0.86 UBE2M (0.42) CCR2CCR5KDRABL1LCK

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
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
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 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 4/4885BRAF 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.