SCHEMBL771605

SCHEMBL771605

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OC2CCCNC2)ccc1-3

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.39
KCNH2 Q12809 6/20 0.39
ROCK1 Q13464 3/20 0.39
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
SCN9A Q15858 1/20 0.37
ALK Q9UM73 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKX P51817 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
CYP3A4 P08684 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL804272 0.92 PRKCA (0.44) NR1I2KCNH2ROCK1PRKCAMMP12
Hydrochloric Acid SCHEMBL772752 0.91 PRKCA (0.44) NR1I2KCNH2ROCK1PRKCAMMP12
SCHEMBL12428631 0.88 PRKCA (0.45) NR1I2KCNH2ROCK1PRKCAMMP12
Hydrochloric Acid SCHEMBL771743 0.87 PRKCA (0.44) NR1I2KCNH2ROCK1PRKCAMMP12
SCHEMBL792848 0.86 ROCK1 (0.42) KCNH2ROCK1PRKCAMMP12ALK
SCHEMBL771886 0.84 NR1I2 (0.39) NR1I2KCNH2PRKCAMMP12SCN9A
SCHEMBL772739 0.83 CHEK2 (0.40) NR1I2KCNH2PRKCAMMP12SCN9A
SCHEMBL771864 0.82 PRKCA (0.44) NR1I2KCNH2ROCK1PRKCAMMP12
SCHEMBL772035 0.81 PRKCA (0.54) NR1I2KCNH2ROCK1PRKCAMMP12
SCHEMBL772494 0.80 PRKCA (0.45) NR1I2ROCK1PRKCAMMP12ROCK2

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-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-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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 NR1I2 1189/4885KCNH2 3813/4885ROCK1 3537/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1I2 1189/4885KCNH2 3813/4885ROCK1 3537/4885

“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.