SCHEMBL1645792

SCHEMBL1645792

c1cc(-c2ccc3[nH]c([C@@H]4CCCN4)nc3c2)ccc1-c1ccc2[nH]c([C@@H]3CCCN3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.56
PARP1 P09874 5/20 0.45
CDC7 O00311 6/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
ROCK1 Q13464 3/20 0.39
DBF4 Q9UBU7 3/20 0.39
PIM1 P11309 3/20 0.38
CSNK2B P67870 3/20 0.38
CSNK2A1 P68400 3/20 0.38
DYRK1A Q13627 2/20 0.38
CIT O14578 1/20 0.38
CYP1A2 P05177 1/20 0.38
CSNK2A2 P19784 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL9605019 1.00 SCN10A (0.56) SCN10APARP1CDC7CCNE1CDK2
Hydrochloric Acid SCHEMBL1646698 0.99 SCN10A (0.55) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12509313 0.98 SCN10A (0.58) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL1293660 0.94 SCN10A (0.54) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12798837 0.93 SCN10A (0.63) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL11939401 0.89 SCN10A (0.52) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL1293911 0.88 SCN10A (0.58) SCN10APARP1NR1H4AAK1USP30
SCHEMBL1293913 0.88 SCN10A (0.58) SCN10APARP1NR1H4AAK1USP30
SCHEMBL19700991 0.88 SCN10A (0.58) SCN10APARP1NR1H4AAK1USP30
SCHEMBL12053448 0.88 SCN10A (0.67) SCN10APARP1AAK1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623899-B2 Bis-benzimidazole derivatives as hepatitis C virus inhibitors Janssen Research & Development Ireland (IE) 2014-01-07 US disclosed
US-8623899-B2 Bis-benzimidazole derivatives as hepatitis C virus inhibitors Janssen Research & Development Ireland (IE) 2014-01-07 US disclosed
US-20120135953-A1 Bis-Benzimidazole Derivatives As Hepatitis C Virus Inhibitors TIBOTEC PHARMACEUTICALS (IE) 2012-05-31 US disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed
WO-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 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-20120135953-A1 Bis-Benzimidazole Derivatives As Hepatitis C Virus Inhibitors HAVCR2, ZC3HAV1, CCNI SCN10A 4559/4885PARP1 1074/4885CDC7 2262/4885

“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.