SCHEMBL7155394

SCHEMBL7155394

CN(C)CCN(CCN(C)C)c1cccc(-c2nc3cncnc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 2/20 0.37
DYRK3 O43781 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PKN2 Q16513 1/20 0.37
PIM3 Q86V86 1/20 0.37
BRSK1 Q8TDC3 1/20 0.37
AURKB Q96GD4 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
ACHE P22303 3/20 0.37
KIT P10721 1/20 0.37
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL7157983 0.89 ACHE (0.37) CHEK2AURKAMAP4K4PIM1PIM3
SCHEMBL7153856 0.86 AURKA (0.40) CHEK2AURKARPS6KB1ACHEPOLB
SCHEMBL7155763 0.84 AURKA (0.48) CHEK2AURKARPS6KB1DYRK3MAP4K4
SCHEMBL8518566 0.84 CCR2 (0.45) CHEK2ACHESYK
SCHEMBL7155315 0.83 AURKA (0.50) CHEK2AURKARPS6KB1DYRK3MAP4K4
SCHEMBL7155484 0.81 AURKA (0.44) CHEK2AURKAPKN2ACHEKIT
SCHEMBL7151726 0.79 CCR2 (0.40) CHEK2ACHEPARP1
SCHEMBL7546743 0.79 AURKA (0.56) CHEK2AURKAACHEKDM4ENPC1
SCHEMBL7548236 0.78 ACHE (0.55) AURKAPIM1PKN2PIM3AURKB
SCHEMBL7160102 0.77 CCR2 (0.52) CHEK2MAP4K4ACHEPARP1

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
US-6348487-B1 ANTIINFLAMMATORY AGENTS, ATHEROSCLEROSIS, RESTINOSIS AND IMMUNE DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2002-02-19 US disclosed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 CHEK2 3746/4885AURKA 4675/4885RPS6KB1 2087/4885

“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.