SCHEMBL5961571

SCHEMBL5961571

Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3c(Cl)cccc3Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.59
CCR5 P51681 1/20 0.59
SPR P35270 5/20 0.50
POLB P06746 1/20 0.50
NR3C1 P04150 8/20 0.47
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL5961527 0.90 CCR2 (0.57) CCR2CCR5SPRPOLBNR3C1
SCHEMBL5961458 0.84 CCR2 (0.68) CCR2CCR5SPRPOLBNR3C1
SCHEMBL5961447 0.83 CCR2 (0.59) CCR2CCR5SPRPOLBNR3C1
SCHEMBL5961441 0.83 CCR2 (0.59) CCR2CCR5SPRPOLBNR3C1
SCHEMBL5961483 0.83 CCR2 (0.66) CCR2CCR5SPRPOLBNR3C1
SCHEMBL7079541 0.80 CCR2 (0.68) CCR2CCR5SPRPOLBNR3C1
SCHEMBL8574855 0.78 SPR (0.61) CCR2CCR5SPRPOLBNR3C1
SCHEMBL5961499 0.77 CCR2 (0.59) CCR2CCR5SPRPOLBNR3C1
SCHEMBL17980518 0.77 NR3C1 (0.71) CCR2CCR5SPRPOLBNR3C1
SCHEMBL5961581 0.76 CCR2 (0.58) CCR2CCR5SPRPOLBNR3C1

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 4/4885SPR 430/4885

“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.