SCHEMBL12328005

SCHEMBL12328005

c1cc(-c2cnc([C@@H]3CCCN3)[nH]2)ccc1-c1ccc2c(c1)CCc1nc([C@@H]3CCCN3)[nH]c1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
SCN3A Q9NY46 2/20 0.33
SCN9A Q15858 1/20 0.33
KCNH2 Q12809 2/20 0.31
BRAF P15056 2/20 0.31
CDC7 O00311 5/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
ROCK1 Q13464 2/20 0.31
DBF4 Q9UBU7 2/20 0.31
PARP1 P09874 2/20 0.31
HPGDS O60760 1/20 0.31
PIM1 P11309 3/20 0.30
CSNK2B P67870 3/20 0.30
CSNK2A1 P68400 3/20 0.30
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
SCHEMBL883164 0.89 SCN10A (0.33) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL18071378 0.88 SCN10A (0.34) SCN10A
SCHEMBL2628270 0.86 SCN10A (0.36) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL10182555 0.83 NPY5R (0.36) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL2625548 0.83 MAPK13 (0.35) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL10182410 0.83 SCN10A (0.35) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL10182569 0.83 SCN10A (0.35) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL12403407 0.81 SCN10A (0.55) SCN10ABRAFCDC7CCNE1CDK2
SCHEMBL2775603 0.80 MAPK13 (0.46) SCN10AMAPK13MAPK12MAPK11MAPK14
SCHEMBL12160094 0.80 MAPK13 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 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-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.