SCHEMBL804548

SCHEMBL804548

Cc1nc(COc2ccc3c(c2)N(CCN2CCCCC2)CCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)cs1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
SCN9A Q15858 4/20 0.34
PKM P14618 1/20 0.33
MAPK14 Q16539 2/20 0.33
FEN1 P39748 1/20 0.32
ALOX5AP P20292 1/20 0.32

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
SCHEMBL12428492 0.89 PRKCA (0.37) PRKCAMMP12ESR1ESR2SCN9A
SCHEMBL12428255 0.88 PRKCA (0.40) PRKCAMMP12ESR1ESR2SCN9A
SCHEMBL10283614 0.86 PRKCA (0.42) L3MBTL1PRKCAMMP12KMT2AESR1
SCHEMBL12427985 0.86 PRKCA (0.42) L3MBTL1PRKCAMMP12KMT2AESR1
SCHEMBL792699 0.86 PRKCA (0.41) L3MBTL1PRKCAMMP12ALOX5ESR1
SCHEMBL10283489 0.86 EGFR (0.44) L3MBTL1PRKCAMMP12
SCHEMBL12427623 0.85 PRKCA (0.43) PRKCAMMP12MEN1KMT2ASCN9A
SCHEMBL12429237 0.84 PRKCA (0.41) PRKCAMMP12ESR1ESR2SCN9A
SCHEMBL12428343 0.84 POLB (0.43) PRKCAMMP12KMT2AESR1ESR2
SCHEMBL12427921 0.83 PRKCA (0.42) PRKCAMMP12ESR1ESR2SCN9A

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
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US 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 L3MBTL1 4435/4885PRKCA 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.