SCHEMBL923845

SCHEMBL923845

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=S)Nc1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.44
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
SCN9A Q15858 3/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
MDH2 P40926 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 5/20 0.37
ALOX5 P09917 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL925855 0.90 CDK1 (0.46) NR1I2PRKCAMMP12CREBBPBRD4
SCHEMBL14253454 0.85 PRKCA (0.46) NR1I2PRKCAMMP12CREBBPBRD4
SCHEMBL3576170 0.85 CREBBP (0.46) NR1I2PRKCAMMP12CREBBPBRD4
SCHEMBL4823223 0.84 NR1I2 (0.47) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL4825561 0.83 SCN9A (0.45) NR1I2PRKCAMMP12CREBBPBRD4
SCHEMBL3577991 0.83 SCN9A (0.47) NR1I2PRKCAMMP12CREBBPBRD4
SCHEMBL391108 0.82 PRKCA (0.45) NR1I2PRKCAMMP12CREBBPBRD4
SCHEMBL13936878 0.80 NR1I2 (0.43) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL3574582 0.80 PRKCA (0.44) NR1I2PRKCAMMP12CREBBPBRD4
SCHEMBL13936879 0.80 PRKCA (0.46) NR1I2PRKCAMMP12SCN9AALDH1A1

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
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
EP-2278977-B1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-02 EP disclosed
EP-2278977-B1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-02 EP disclosed
EP-2278977-A1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2009120650-A1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 WO disclosed
WO-2009120650-A1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 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 (1 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-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors HAVCR2, NSD2, ZC3HAV1 NR1I2 246/4885PRKCA 3911/4885MMP12 4743/4885

“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.