SCHEMBL5961435

SCHEMBL5961435

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.43
NR3C1 P04150 5/20 0.41
SPR P35270 4/20 0.38
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL5961517 0.90 MCL1 (0.43) CCR2CCR5NR3C1MAPTPOLB
SCHEMBL7073878 0.89 NR3C1 (0.39) CCR2CCR5NR3C1SPRMAPT
SCHEMBL5961440 0.85 TP53 (0.47) CCR2CCR5NR3C1MAPTPOLB
SCHEMBL5961522 0.85 CCR2 (0.53) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961537 0.85 CCR2 (0.45) CCR2CCR5NR3C1SPRMAPT
SCHEMBL5961535 0.84 CCR2 (0.42) CCR2CCR5NR3C1SPRMAPT
SCHEMBL5961525 0.84 CCR2 (0.54) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961472 0.82 CCR2 (0.63) CCR2CCR5NR3C1SPRFLT3
SCHEMBL5961427 0.82 CCR2 (0.51) CCR2CCR5NR3C1SPRPOLB
SCHEMBL5961577 0.81 CCR2 (0.51) CCR2CCR5NR3C1GAATRPV1

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.