SCHEMBL883164

SCHEMBL883164

C(#Cc1ccc2c(c1)CCc1nc([C@@H]3CCCN3)[nH]c1-2)c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KCNH2 Q12809 1/20 0.31
SSTR3 P32745 1/20 0.30

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
SCHEMBL12328005 0.89 SCN10A (0.36) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL18071378 0.82 SCN10A (0.34) SCN10A
SCHEMBL882760 0.82 MAPK13 (0.41) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL10201775 0.81 SCN10A (0.52) SCN10A
SCHEMBL14758535 0.80 SCN10A (0.39) SCN10A
SCHEMBL10144768 0.79 SCN10A (0.51) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL16572630 0.79 SCN10A (0.51) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL16405116 0.79 SCN10A (0.51) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL10201771 0.77 SCN10A (0.37) SCN10A
SCHEMBL15373033 0.77 HPGDS (0.35) SCN10AMAPK13MAPK12MAPK11MAPK14

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
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SCN10A 4305/4885MAPK13 1290/4885MAPK12 1681/4885

“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.