SCHEMBL5961577

SCHEMBL5961577

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.51
CCR5 P51681 1/20 0.51
BRAF P15056 3/20 0.47
NR3C1 P04150 2/20 0.44
TRPV1 Q8NER1 3/20 0.43
KDR P35968 6/20 0.42
RAF1 P04049 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM4 Q14833 1/20 0.40
TEK Q02763 1/20 0.40
CDK8 P49336 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5961522 0.92 CCR2 (0.53) CCR2CCR5BRAFNR3C1TRPV1
SCHEMBL5961427 0.90 CCR2 (0.51) CCR2CCR5BRAFNR3C1TRPV1
SCHEMBL5961472 0.90 CCR2 (0.63) CCR2CCR5BRAFNR3C1KDR
SCHEMBL5961525 0.89 CCR2 (0.54) CCR2CCR5BRAFNR3C1KDR
SCHEMBL5961478 0.86 CCR2 (0.48) CCR2CCR5SMN1; SMN2
SCHEMBL7137484 0.85 SPR (0.43) CCR2CCR5NR3C1SMN1; SMN2
SCHEMBL7074009 0.85 NR3C1 (0.48) CCR2CCR5NR3C1
SCHEMBL5961440 0.85 TP53 (0.47) CCR2CCR5NR3C1KDR
SCHEMBL5961537 0.84 CCR2 (0.45) CCR2CCR5NR3C1TRPV1SMN1; SMN2
SCHEMBL5961517 0.84 MCL1 (0.43) CCR2CCR5NR3C1TRPV1SMN1; SMN2

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