SCHEMBL774045

SCHEMBL774045

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
ROCK2 O75116 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK10 P53779 1/20 0.38
NR1I2 O75469 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MLLT1 Q03111 2/20 0.37
SCN9A Q15858 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGAV P06756 4/20 0.37
ITGA2B P08514 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL772489 0.94 ROCK2 (0.48) PRKCAMMP12ROCK2SMN1; SMN2KMT2A
SCHEMBL772963 0.88 PRKCA (0.49) PRKCAMMP12SMN1; SMN2KMT2AKDM4E
SCHEMBL772267 0.85 PRKCA (0.47) PRKCAMMP12NR1I2SCN9A
SCHEMBL774557 0.84 PRKCA (0.54) PRKCAMMP12KMT2AKDM4ENR1I2
SCHEMBL2198748 0.84 PRKCA (0.54) PRKCAMMP12ROCK2NR1I2SCN9A
SCHEMBL773448 0.84 PRKCA (0.54) PRKCAMMP12ROCK2SMN1; SMN2KDM4E
SCHEMBL772828 0.82 PRKCA (0.64) PRKCAMMP12POLBTSHRNR1I2
SCHEMBL30486080 0.82 PRKCA (0.64) PRKCAMMP12POLBTSHRNR1I2
SCHEMBL774451 0.82 PRKCA (0.46) PRKCAMMP12KMT2APOLBNR1I2
SCHEMBL774547 0.81 PRKCA (0.53) PRKCAMMP12KDM4ENR1I2HDAC6

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-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 PRKCA 2404/4885MMP12 1013/4885ROCK2 4024/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885ROCK2 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.