SCHEMBL10201770

SCHEMBL10201770

Fc1cc(C#Cc2ccc3c(ccc4nc([C@@H]5CCCN5)[nH]c43)c2)cc2[nH]c([C@@H]3CCCN3)nc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.41
PARP1 P09874 7/20 0.36
CDC7 O00311 6/20 0.33
PIM1 P11309 4/20 0.33
CSNK2B P67870 4/20 0.33
CSNK2A1 P68400 4/20 0.33
CIT O14578 1/20 0.33
CYP1A2 P05177 1/20 0.33
CSNK2A2 P19784 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
ROCK1 Q13464 2/20 0.31
DBF4 Q9UBU7 2/20 0.31

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
SCHEMBL10201776 0.88 SCN10A (0.53) SCN10APARP1CDC7PIM1CSNK2B
SCHEMBL19488797 0.86 SCN10A (0.34) SCN10A
SCHEMBL13242539 0.84 SCN10A (0.43) SCN10APARP1CDC7PIM1CSNK2B
SCHEMBL13221478 0.83
SCHEMBL14641545 0.83
SCHEMBL19488500 0.81 SCN10A (0.48) SCN10APARP1CDC7PIM1CSNK2B
SCHEMBL19488796 0.80 SCN10A (0.45) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL10200243 0.79 SCN10A (0.45) SCN10APARP1CDC7PIM1CSNK2B
SCHEMBL10236922 0.77 SCN10A (0.38) SCN10ACDC7PIM1CSNK2BCSNK2A1
SCHEMBL19488812 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (3 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885PARP1 3489/4885CDC7 911/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885PARP1 3489/4885CDC7 911/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885PARP1 3489/4885CDC7 911/4885

“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.