SCHEMBL5961572

SCHEMBL5961572

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(OC(C)C)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.49
CCR5 P51681 3/20 0.49
NR3C1 P04150 4/20 0.46
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
SPR P35270 3/20 0.38
POLB P06746 1/20 0.38
PLAU P00749 2/20 0.38
KIT P10721 1/20 0.37
DDR1 Q08345 1/20 0.37
FLT3 P36888 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
SCHEMBL7081133 0.90 NR3C1 (0.44) CCR2CCR5NR3C1PDE4APDE4B
SCHEMBL7078063 0.85 SPR (0.40) CCR2CCR5NR3C1PDE4APDE4B
SCHEMBL7079006 0.85 MEN1 (0.45) CCR2CCR5NR3C1MEN1KMT2A
SCHEMBL7078734 0.84 POLB (0.41) CCR2CCR5NR3C1PDE4APDE4B
SCHEMBL7075366 0.83 PDE4A (0.49) CCR2CCR5NR3C1PDE4APDE4B
SCHEMBL7077952 0.83 SPR (0.48) CCR2CCR5NR3C1KMT2ASPR
SCHEMBL5961440 0.83 TP53 (0.47) CCR2CCR5NR3C1MEN1KMT2A
SCHEMBL5961425 0.82 NR3C1 (0.58) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL7074009 0.81 NR3C1 (0.48) CCR2CCR5NR3C1MEN1KMT2A
SCHEMBL7079264 0.81 NR3C1 (0.40) 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 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 4/4885NR3C1 673/4885

“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.