SCHEMBL10144768

SCHEMBL10144768

C(#Cc1ccc2nc([C@@H]3CCCN3)[nH]c2c1)c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.51
NPY5R Q15761 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PARP1 P09874 5/20 0.35
DGAT1 O75907 2/20 0.35
SSTR3 P32745 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
USP30 Q70CQ3 2/20 0.33
CDC7 O00311 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
ROCK1 Q13464 2/20 0.33
DBF4 Q9UBU7 2/20 0.33
KCNH2 Q12809 2/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16572630 1.00 SCN10A (0.51) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL16405116 1.00 SCN10A (0.51) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL19488602 0.90 SCN10A (0.42) SCN10ANPY5RNPC1RAB9ADGAT1
SCHEMBL15388620 0.88 SCN10A (0.45) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL15388617 0.88 SCN10A (0.45) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL10176719 0.88 SCN10A (0.56) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL13192596 0.88 SCN10A (0.56) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL10202379 0.88 SCN10A (0.56) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL13192605 0.88 SCN10A (0.56) SCN10ANPY5RNPC1RAB9APARP1
SCHEMBL882760 0.87 MAPK13 (0.41) SCN10ANPY5RSSTR3MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US 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-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO 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
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 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 (5 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 4625/4885NPY5R 4728/4885NPC1 65/4885
US-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SCN10A 3547/4885NPY5R 4824/4885NPC1 122/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SCN10A 3547/4885NPY5R 4824/4885NPC1 122/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SCN10A 4625/4885NPY5R 4728/4885NPC1 65/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 SCN10A 3547/4885NPY5R 4824/4885NPC1 122/4885

“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.