SCHEMBL792848

SCHEMBL792848

Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OC2CCCNC2)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.42
ALK Q9UM73 1/20 0.38
ROCK2 O75116 2/20 0.38
PRKX P51817 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
KCNH2 Q12809 1/20 0.37
PARP1 P09874 1/20 0.32
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
PDE7A Q13946 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
MAOB P27338 1/20 0.31

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 0.87 PRKCA (0.44) ROCK1ALKROCK2PRKXPRKCE
SCHEMBL771605 0.86 NR1I2 (0.39) ROCK1ALKROCK2PRKXPRKCE
Hydrochloric Acid SCHEMBL772752 0.86 PRKCA (0.44) ROCK1ALKROCK2PRKXPRKCE
SCHEMBL14572897 0.84 NR1I2 (0.37) KCNH2PRKCAMMP12
SCHEMBL12428631 0.83 PRKCA (0.45) ROCK1KCNH2PRKCAMMP12
Hydrochloric Acid SCHEMBL771743 0.82 PRKCA (0.44) ROCK1KCNH2PRKCAMMP12
SCHEMBL792849 0.82 PIK3CD (0.35) PRKCAMMP12
SCHEMBL792656 0.79 PRMT5 (0.39) ALKPRKCAMMP12
SCHEMBL792695 0.78 PRKCA (0.39) PRKCAMMP12CHRNB2CHRNA4MAOB
SCHEMBL792437 0.78 PRKCA (0.47) PRKCAMMP12

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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 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 (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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ROCK1 3537/4885ALK 3044/4885ROCK2 4024/4885

“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.