SCHEMBL772955

SCHEMBL772955

COC(=O)c1ccc2nc(NC(=O)c3ccc4c(C5CCCCC5)c5n(c4c3)CCOc3ccccc3-5)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
CSNK1E P49674 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CLK1 P49759 1/20 0.40
RPS6KA2 Q15349 5/20 0.40
RPS6KA3 P51812 1/20 0.40
NPY5R Q15761 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
NR1I2 O75469 1/20 0.39
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MLLT1 Q03111 1/20 0.38
ITK Q08881 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL772963 0.92 PRKCA (0.49) PRKCAMMP12SMN1; SMN2RPS6KA2RPS6KA3
SCHEMBL771165 0.91 RPS6KA2 (0.47) PRKCAMMP12SMN1; SMN2CLK1RPS6KA2
SCHEMBL773502 0.88 PRKCA (0.41) PRKCAMMP12NPY5RNR1I2SCN9A
SCHEMBL771770 0.87 PRKCA (0.41) PRKCAMMP12NPY5RNR1I2SCN9A
SCHEMBL772035 0.86 PRKCA (0.54) PRKCAMMP12SMN1; SMN2TP53NR1I2
SCHEMBL772358 0.86 PRKCA (0.40) PRKCAMMP12NPY5RNR1I2SCN9A
SCHEMBL771922 0.81 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL774045 0.81 PRKCA (0.49) PRKCAMMP12SMN1; SMN2NR1I2SCN9A
SCHEMBL774422 0.80 PRKCA (0.42) PRKCAMMP12NPY5RNR1I2SCN9A
SCHEMBL771736 0.80 PRKCA (0.48) PRKCAMMP12SMN1; SMN2RPS6KA2RPS6KA3

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 7 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
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 IRAK4 3790/4885PRKCA 2404/4885MMP12 1013/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 IRAK4 3790/4885PRKCA 2404/4885MMP12 1013/4885

“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.