SCHEMBL7155458

SCHEMBL7155458

CN(C)CCN(CCN(C)C)c1cccc(-c2nc3ncccc3[nH]2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.73
NPY5R Q15761 1/20 0.47
METAP1 P53582 2/20 0.44
FAAH O00519 2/20 0.44
METAP2 P50579 1/20 0.44
PRMT5 O14744 2/20 0.44
PDE5A O76074 3/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CSNK2A1 P68400 1/20 0.43
PKN2 Q16513 1/20 0.43
PIM3 Q86V86 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
AURKB Q96GD4 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
STK17A Q9UEE5 1/20 0.43

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
SCHEMBL7159653 0.88 AURKA (0.66) AURKANPY5RMETAP1FAAHMETAP2
SCHEMBL7550880 0.88 AURKA (0.71) AURKAMETAP1METAP2PRMT5HPSE
SCHEMBL7155315 0.83 AURKA (0.50) AURKANPY5RMETAP1METAP2DYRK3
SCHEMBL7155763 0.82 AURKA (0.48) AURKADYRK3MAP4K4PIM1RPS6KB1
SCHEMBL7548236 0.81 ACHE (0.55) AURKAPIM1PKN2PIM3AURKB
SCHEMBL14091548 0.81 AURKA (0.68) AURKANPY5RFAAHPRMT5DYRK3
SCHEMBL7551890 0.78 AURKA (0.53) AURKANPY5RFAAHPDE5A
SCHEMBL7155484 0.77 AURKA (0.44) AURKANPY5RPKN2
SCHEMBL7546743 0.77 AURKA (0.56) AURKANPY5RMETAP1METAP2PDE5A
SCHEMBL7158378 0.77 PDE5A (0.55) AURKAMETAP1METAP2PDE5A

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-6534521-B2 Useful in the treatment of inflammation, atherosclerosis, restenosis, and immune disorders such as arthritis and transplant rejection MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US disclosed
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 AURKA 4675/4885NPY5R 649/4885METAP1 1325/4885

“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.