SCHEMBL991506

SCHEMBL991506

C=CCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
NR1I2 O75469 1/20 0.37
CCNB2 O95067 5/20 0.36
CDK1 P06493 5/20 0.36
CCNB1 P14635 5/20 0.36
CCNB3 Q8WWL7 5/20 0.36
MDH2 P40926 5/20 0.36
SCN9A Q15858 1/20 0.36
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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 0.86 CDK1 (0.46) PRKCAMMP12NR1I2CCNB2CDK1
SCHEMBL14435330 0.84 PRKCA (0.43) PRKCAMMP12NR1I2CCNB2CDK1
SCHEMBL874916 0.84 PRKCA (0.50) PRKCAMMP12NR1I2CCNB2CDK1
SCHEMBL14435944 0.83 SCN9A (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL3576170 0.78 CREBBP (0.46) PRKCAMMP12NR1I2CCNB2CDK1
SCHEMBL14253194 0.77 SCN9A (0.62) NR1I2SCN9A
SCHEMBL792582 0.77 CCNB2 (0.39) PRKCAMMP12NR1I2CCNB2CDK1
SCHEMBL5256403 0.77 OPRM1 (0.39) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL923845 0.77 NR1I2 (0.44) PRKCAMMP12NR1I2CCNB2CDK1
SCHEMBL14253262 0.76 NR1I2 (0.62) PRKCAMMP12NR1I2SCN9A

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 3 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
EP-2278977-B1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-02 EP disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 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 (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 PRKCA 3911/4885MMP12 4743/4885NR1I2 246/4885

“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.