SCHEMBL50693

SCHEMBL50693

NC(=O)c1ccc2cc3n(c2c1)CC1(C(N)=O)C=C1c1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 9/20 0.46
RPS6KA2 Q15349 11/20 0.37
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PDK2 Q15119 2/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
FGFR1 P11362 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL51501 0.83 RPS6KA2 (0.37) RPS6KA3RPS6KA2FGFR1
SCHEMBL50820 0.74 RPS6KA3 (0.49) RPS6KA3RPS6KA2ROCK2PIM1PIM3
SCHEMBL271134 0.71 RPS6KA3 (0.46) RPS6KA3RPS6KA2ROCK2PIM1PIM3
SCHEMBL4831402 0.70 RPS6KA3 (0.59) RPS6KA3RPS6KA2
SCHEMBL3938873 0.70 RPS6KA3 (0.45) RPS6KA3RPS6KA2ROCK2PIM1PIM3
SCHEMBL641773 0.70 RPS6KA3 (0.39) RPS6KA3RPS6KA2
SCHEMBL639759 0.69 RPS6KA3 (0.36) RPS6KA3RPS6KA2
SCHEMBL4177772 0.68 L3MBTL1 (0.42)
SCHEMBL3941964 0.68 RPS6KA3 (0.43) RPS6KA3RPS6KA2ROCK2PIM1PIM3
SCHEMBL3088133 0.68 RPS6KA3 (0.54) RPS6KA3RPS6KA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 US disclosed
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 US disclosed
EP-2401280-B1 Cyclopropyl fused indolobenzazepine hcv ns5b inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-05-01 EP disclosed
EP-2118108-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-11-14 EP disclosed
EP-2518073-A1 Compounds for the treatment of Hepatitis C Bristol-Myers Squibb Company (US) 2012-10-31 EP disclosed
EP-2209784-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-20080226592-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226591-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226590-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-7399758-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-07-15 US disclosed
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 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 (13 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-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA3 1970/4885RPS6KA2 2459/4885ROCK2 3376/4885
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA3 1970/4885RPS6KA2 2459/4885ROCK2 3376/4885
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 RPS6KA3 2754/4885RPS6KA2 3360/4885ROCK2 4015/4885
US-20080226590-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA3 1278/4885RPS6KA2 1996/4885ROCK2 3590/4885
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA3 1970/4885RPS6KA2 2459/4885ROCK2 3376/4885
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA3 1970/4885RPS6KA2 2459/4885ROCK2 3376/4885
US-20120115847-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA3 1278/4885RPS6KA2 1996/4885ROCK2 3590/4885
US-20080226592-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, OAT RPS6KA3 2060/4885RPS6KA2 2871/4885ROCK2 4083/4885
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma ZC3HAV1, ODC1, MED1 RPS6KA3 1476/4885RPS6KA2 1949/4885ROCK2 3631/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 RPS6KA3 2754/4885RPS6KA2 3360/4885ROCK2 4015/4885
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA3 1970/4885RPS6KA2 2459/4885ROCK2 3376/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA3 1970/4885RPS6KA2 2459/4885ROCK2 3376/4885
US-20080226591-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA3 1278/4885RPS6KA2 1996/4885ROCK2 3590/4885

“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.