SCHEMBL690681

SCHEMBL690681

c1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ncc(-c2cnc(C3CCCN3)[nH]2)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 13/20 0.55
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
SCN3A Q9NY46 2/20 0.38
SCN9A Q15858 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL690680 1.00 HPGDS (0.55) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL12175215 0.91 HPGDS (0.50) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL9284198 0.91 MAPK13 (0.47) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL9280936 0.91 MAPK13 (0.47) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL2775603 0.90 MAPK13 (0.46) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL18475635 0.90 MAPK13 (0.46) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL12160014 0.90 MAPK13 (0.46) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL12160094 0.90 MAPK13 (0.46) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL12160056 0.90 MAPK13 (0.46) HPGDSMAPK13MAPK12MAPK11MAPK14
SCHEMBL689813 0.90 MAPK13 (0.46) HPGDSMAPK13MAPK12MAPK11MAPK14

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP claimed
US-7659270-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US claimed
EP-2049116-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-9018390-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-28 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (8 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-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885MAPK13 3291/4885MAPK12 3437/4885

“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.