SCHEMBL772650

SCHEMBL772650

CCOC(=O)c1ccc2c(c1)nc(C(C)(C)NC(=O)c1ccc3c(C4CCCCC4)c4n(c3c1)CCOc1ccccc1-4)n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
HTR2A P28223 2/20 0.37
CTSG P08311 1/20 0.37
MAOA P21397 1/20 0.37
DRD1 P21728 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TP53 P04637 2/20 0.36
PTGER4 P35408 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SCN9A Q15858 4/20 0.36
SIRT2 Q8IXJ6 3/20 0.35
SIRT1 Q96EB6 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL774468 0.91 PRKCA (0.49) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL774776 0.90 PRKCA (0.46) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL771922 0.89 PRKCA (0.43) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL773884 0.86 PRKCA (0.42) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL774480 0.86 PRKCA (0.50) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL772485 0.85 PRKCA (0.45) PRKCAMMP12HTR2ACYP3A4CYP2C19
SCHEMBL774469 0.83 PRKCA (0.44) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL12429031 0.82 PRKCA (0.43) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL773991 0.82 PRKCA (0.46) PRKCAMMP12HTR2ACTSGMAOA
SCHEMBL774288 0.82 PRKCA (0.44) PRKCAMMP12HTR2ACTSGMAOA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885HTR2A 4863/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885HTR2A 4863/4885

“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.