SCHEMBL773680

SCHEMBL773680

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(Nc2ccccc2)cccc1-3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
NR1I2 O75469 1/20 0.42
SCN9A Q15858 3/20 0.41
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KMO O15229 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AURKA O14965 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
SCHEMBL773877 0.87 PRKCA (0.52) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL774624 0.85 PRKCA (0.50) PRKCAMMP12NR1I2SCN9AEGLN1
SCHEMBL12510471 0.84 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AHPGD
SCHEMBL772118 0.84 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AKMO
Hydrochloric Acid SCHEMBL773342 0.84 PRKCA (0.45) PRKCAMMP12NR1I2SCN9AHPGD
SCHEMBL772120 0.84 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL773242 0.83 PRKCA (0.55) PRKCAMMP12NR1I2SCN9AEGLN1
SCHEMBL772514 0.83 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AEGLN1
SCHEMBL771845 0.83 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL30486080 0.82 PRKCA (0.64) PRKCAMMP12NR1I2SCN9AKMO

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 10 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
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
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 1013/4885NR1I2 1189/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885

“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.