SCHEMBL7158378

SCHEMBL7158378

CN(C)CCN(CCN(C)C)c1ccccc1-c1nc2ncccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.55
AURKA O14965 3/20 0.54
PDE4A P27815 8/20 0.53
PDE4B Q07343 8/20 0.53
PDE4C Q08493 8/20 0.53
PDE4D Q08499 8/20 0.53
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48

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
SCHEMBL7160110 0.88 PDE5A (0.56) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL7153868 0.83 METAP2 (0.48) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL7160066 0.82 NPC1 (0.54)
SCHEMBL7548148 0.80 KDM4E (0.40) PDE5A
SCHEMBL7550880 0.79 AURKA (0.71) AURKAMETAP2METAP1
SCHEMBL8556563 0.78 METAP2 (0.43) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL7159177 0.78 PDE5A (0.45) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL7156591 0.77 PDE5A (0.43) PDE5AAURKAMETAP2METAP1
SCHEMBL7155458 0.77 AURKA (0.73) PDE5AAURKAMETAP2METAP1
SCHEMBL7553105 0.77 PDE5A (0.55) PDE5AAURKAMETAP2METAP1

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 6 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
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 PDE5A 3671/4885AURKA 4675/4885PDE4A 4044/4885

“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.