SCHEMBL1359964

SCHEMBL1359964

C(#Cc1cnc([C@@H]2CCCN2)[nH]1)c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
SCN10A Q9Y5Y9 3/20 0.38
SSTR3 P32745 4/20 0.36
HPGDS O60760 3/20 0.35
SCN3A Q9NY46 2/20 0.35
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 3/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
NPY5R Q15761 1/20 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
SCHEMBL1359965 1.00 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL1359487 0.99 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL1359488 0.99 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL882760 0.94 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL15277180 0.93 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL1358834 0.91 CHRNB2 (0.39) SCN10ACHRNB2CHRNA7CHRNA4
SCHEMBL1358829 0.91 CHRNB2 (0.39) SCN10ACHRNB2CHRNA7CHRNA4
SCHEMBL9284198 0.85 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL9280936 0.85 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SCN10A
SCHEMBL15848130 0.85 SSTR3 (0.46) MAPK13MAPK12MAPK11MAPK14SCN10A

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
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
CN-102712628-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-15 CN disclosed
US-20140018389-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 US disclosed
US-20140018389-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 US disclosed
US-8618153-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
US-20130012540-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-10 US disclosed
US-20130012540-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-10 US disclosed
EP-2499132-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2012-05-31 US disclosed
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2012-05-31 US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 US disclosed
US-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 US disclosed
WO-2011060000-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011060000-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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 (4 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-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MAPK13 1218/4885MAPK12 1600/4885MAPK11 1840/4885
US-20130012540-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MAPK13 1218/4885MAPK12 1600/4885MAPK11 1840/4885
US-20140018389-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MAPK13 1218/4885MAPK12 1600/4885MAPK11 1840/4885
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors HAVCR2, ZC3HAV1, EIF2AK2 MAPK13 1655/4885MAPK12 2605/4885MAPK11 2600/4885

“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.