SCHEMBL7550880

SCHEMBL7550880

CN(C)CCN(CCN(C)C)c1ccc(-c2nc3ncccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.71
HPSE Q9Y251 2/20 0.53
PRMT5 O14744 3/20 0.51
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46

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
SCHEMBL7155458 0.88 AURKA (0.73) AURKAHPSEPRMT5METAP2METAP1
SCHEMBL7155380 0.88 AURKA (0.64) AURKAHPSEPRMT5
SCHEMBL14091556 0.81 ACHE (0.70) AURKAHPSEPRMT5
SCHEMBL7155725 0.81 AURKA (0.47) AURKAMETAP2METAP1
SCHEMBL7549644 0.80 ACHE (0.64) HPSE
SCHEMBL7550838 0.80 ACHE (0.45) AURKAHPSE
SCHEMBL7158378 0.79 PDE5A (0.55) AURKAMETAP2METAP1
SCHEMBL7160843 0.77 AURKA (0.51) AURKAHPSEPRMT5
SCHEMBL11770396 0.76 AURKA (0.70) AURKAHPSEPRMT5METAP2METAP1
SCHEMBL7159653 0.76 AURKA (0.66) AURKAHPSEPRMT5METAP2METAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 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 AURKA 4675/4885HPSE 3358/4885PRMT5 1133/4885

“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.