SCHEMBL5961524

SCHEMBL5961524

NC(=O)c1cnc2c(c1)c(-c1ccccc1)nn2-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 5/20 0.49
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR3C1 P04150 1/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
SRC P12931 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
EGFR P00533 1/20 0.44
MAPK14 Q16539 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
RIPK2 O43353 1/20 0.42
AKT1 P31749 1/20 0.41

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
SCHEMBL5961432 0.83 GSK3B (0.49) SPRHPGDL3MBTL1ALDH1A1KDR
SCHEMBL21500663 0.83 SPR (0.69) SPRHPGDLMNAL3MBTL1NR3C1
SCHEMBL31457154 0.77 CCNA2 (0.50) SPRHPGDLMNAL3MBTL1MAPT
SCHEMBL28623432 0.73 AKT1 (0.52) HPGDLMNAL3MBTL1MAPTALDH1A1
SCHEMBL7173405 0.72 HPGD (0.52) SPRHPGDL3MBTL1MAPTMAPK1
SCHEMBL7418912 0.72 SPR (0.72) SPRHPGDLMNAL3MBTL1NR3C1
SCHEMBL4674159 0.70 AKT1 (0.70) HPGDLMNAL3MBTL1MAPTMAPK1
SCHEMBL27243794 0.69 LMNA (0.53) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL38652244 0.69 AKT1 (0.51) HPGDLMNAL3MBTL1MAPTALDH1A1
SCHEMBL27244067 0.69 CCNA2 (0.47) LMNAMAPTSRCEGFRMEN1

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-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
US-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-04-22 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 (2 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-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 SPR 430/4885HPGD 2301/4885LMNA 4351/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 SPR 430/4885HPGD 2301/4885LMNA 4351/4885

“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.